file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,007,491 | 14.354 | 0.005 | 13.594 | 0.004 | 17.501 | 0.003 | 90 | null | 91.29 | 0.02 | 90 | null | 3,414.1 | 1.7 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | BistriphenylphosphineoxidetinIIchloride | - C36 H30 Cl2 O2 P2 Sn - | - C36 H30 Cl2 O2 P2 Sn - | - C144 H120 Cl8 O8 P8 Sn4 - | 4 | 1 | VJ1080 | Selvaraju, R.; Panchanatheswaran, K.; Parthasarathi, V. | Dichlorobis(triphenylphosphine oxide)tin(II) | Acta Crystallographica Section C | 1,998 | 54 | 7 | 905 | 906 | 10.1107/S0108270198000328 | 0.71069 | MoKα | 0.063 | 0.04 | null | 0.077 | 0.072 | null | null | null | 1.218 | 1.317 | 1.317 | null | null | null | has coordinates | Selvaraju, R.; Panchanatheswaran, K.; Parthasarathi, V.
Dichlorobis(triphenylphosphine oxide)tin(II)
Acta Crystallographica Section C
54(7)
(1998)
905-906 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,007,492 | 9.3938 | 0.0008 | 9.3938 | 0.0008 | 6.9013 | 0.0005 | 90 | null | 90 | null | 120 | null | 527.4 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 63/m | -P 6c | 176 | britholite | - Ca9 F1.5 Nd O24.25 P5 Si - | - Ca9 F1.54 Nd O24.28 P5.1 Si0.9 - | - Ca9 F1.54 Nd O24.28 P5.1 Si0.9 - | 1 | 0.083333 | Laurent Boyer; Jean-Michel Savariault; Joëlle Carpena; Jean-Louis Lacout | Neodymium-Substituted Britholite Compound | Acta Crystallographica Section C | 1,998 | 54 | 1057 | 1059 | null | null | 0.0346 | null | null | 0.0924 | null | null | null | null | null | null | null | null | null | has coordinates | Laurent Boyer; Jean-Michel Savariault; Joëlle Carpena; Jean-Louis Lacout
Neodymium-Substituted Britholite Compound
Acta Crystallographica Section C
54
(1998)
1057-1059 | 130,149 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2015-01-27 21:58:39 +0200 (Tue, 27 Jan 2015) $
#$Revision: 130149 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007492.cif $
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2,007,493 | 9.255 | 0.001 | 12.524 | 0.002 | 13.538 | 0.002 | 90 | null | 104.32 | 0.01 | 90 | null | 1,520.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C36 H26 Br2 Cu N2 O2 - | - C36 H26 Br2 Cu N2 O2 - | - C72 H52 Br4 Cu2 N4 O4 - | 2 | 0.5 | AB1532 | Elerman, Yalc̨in; Elmali, Ayhan; Özbey, Süheyla | Bis[<i>N</i>-(2-bromo-4-methylphenyl)naphthaldiminato]copper(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1072 | 1074 | 10.1107/S0108270198003345 | 0.71069 | MoKα | 0.098 | 0.056 | null | 0.097 | 0.09 | null | null | null | 1.208 | 1.387 | 1.387 | null | null | null | has coordinates | Elerman, Yalc̨in; Elmali, Ayhan; Özbey, Süheyla
Bis[<i>N</i>-(2-bromo-4-methylphenyl)naphthaldiminato]copper(II)
Acta Crystallographica Section C
54(8)
(1998)
1072-1074 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007493.cif $
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2,007,494 | 6.235 | 0.009 | 13.137 | 0.01 | 25.73 | 0.03 | 88.05 | 0.09 | 86.38 | 0.1 | 84.5 | 0.09 | 2,093 | 4 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 | P 1 | 1 | Seychellogenin | 3β-Hydroxy-20(S)-Holost-7,9-dien | - C31 H48.67 O3.67 - | - C31 H48.6667 O3.66667 - | - C93 H146 O11 - | 3 | 3 | AV1012 | Ilyin, Sergey G.; Antonov, Alexander S.; Stonik, Valentine A.; Antipin, Michael Yu.; Elyakov, Georgy B. | (20<i>S</i>)-3β-Hydroxyholosta-7,9-diene | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1156 | 1158 | 10.1107/S0108270198001966 | 0.71069 | MoKα | 0.1888 | 0.0843 | null | 0.1256 | 0.1208 | null | null | null | 1.829 | 2.484 | 2.484 | null | null | null | has coordinates | Ilyin, Sergey G.; Antonov, Alexander S.; Stonik, Valentine A.; Antipin, Michael Yu.; Elyakov, Georgy B.
(20<i>S</i>)-3β-Hydroxyholosta-7,9-diene
Acta Crystallographica Section C
54(8)
(1998)
1156-1158 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007494.cif $
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2,007,495 | 14.766 | 0.002 | 24.223 | 0.005 | 9.239 | 0.001 | 94.74 | 0.01 | 96.72 | 0.01 | 87.19 | 0.01 | 3,268.1 | 0.9 | 294 | null | 294.2 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C80 H68 Mn2 O12 - | - C80 H68 Mn2 O12 - | - C160 H136 Mn4 O24 - | 2 | 1 | BK1373 | Yaukey, Tammy S.; Steward, Omar W.; Chang, Shih-Chi | Manganese(II) Triphenylacetate Hydrate, a Manganese(II) Complex with a Chain Structure | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1081 | 1083 | 10.1107/S0108270198003126 | 0.7107 | MoKα | null | 0.048 | null | null | 0.052 | null | null | null | null | 1.94 | 1.94 | null | null | null | has coordinates | Yaukey, Tammy S.; Steward, Omar W.; Chang, Shih-Chi
Manganese(II) Triphenylacetate Hydrate, a Manganese(II) Complex with a Chain Structure
Acta Crystallographica Section C
54(8)
(1998)
1081-1083 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007495.cif $
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2,229,997 | 12.758 | 0.0006 | 11.2504 | 0.0006 | 18.8088 | 0.0007 | 90 | null | 94.72 | 0.002 | 90 | null | 2,690.5 | 0.2 | 296 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 4-({[(<i>E</i>)-Pyridin-3-ylmethylidene]amino}methyl)cyclohexanecarboxylic acid | - C14 H18 N2 O2 - | - C14 H18 N2 O2 - | - C112 H144 N16 O16 - | 8 | 2 | HB5830 | Nisar, Muhammad; Ali, Ihsan; Tahir, M. Nawaz; Qayum, Mughal; Marwat, Inamullah Khan | 4-({[(<i>E</i>)-Pyridin-3-ylmethylidene]amino}methyl)cyclohexanecarboxylic acid | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1058 | 10.1107/S1600536811011779 | 0.71073 | MoKα | 0.1058 | 0.0626 | null | null | 0.1776 | 0.2071 | null | null | null | null | null | 1.047 | null | null | has coordinates,has disorder,has Fobs | Nisar, Muhammad; Ali, Ihsan; Tahir, M. Nawaz; Qayum, Mughal; Marwat, Inamullah Khan
4-({[(<i>E</i>)-Pyridin-3-ylmethylidene]amino}methyl)cyclohexanecarboxylic acid
Acta Crystallographica Section E
67(5)
(2011)
o1058 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229997.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,496 | 13.558 | 0.004 | 7.051 | 0.002 | 15.482 | 0.004 | 90 | null | 90.42 | 0.02 | 90 | null | 1,480 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Aqua(1,10-phenanthrolyne-N,N')(μ-thiosulfato-S,O) cadmium(II)), hydrate. | - C12 H12 Cd N2 O5 S2 - | - C12 H12 Cd N2 O5 S2 - | - C48 H48 Cd4 N8 O20 S8 - | 4 | 1 | BK1378 | Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa | Aqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(μ~3~-thiosulfato-<i>S</i>:<i>S</i>:<i>O</i>)cadmium(II) Hydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1099 | 1102 | 10.1107/S0108270198003138 | 0.71073 | MoKα | 0.084 | 0.041 | null | null | null | 0.072 | null | null | null | null | null | 0.999 | null | null | has coordinates | Baggio, Sergio; Baggio, Ricardo; Garland, Maria Teresa
Aqua(1,10-phenanthroline-<i>N</i>,<i>N</i>')(μ~3~-thiosulfato-<i>S</i>:<i>S</i>:<i>O</i>)cadmium(II) Hydrate
Acta Crystallographica Section C
54(8)
(1998)
1099-1102 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007496.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,497 | 11.642 | 0.002 | 33.225 | 0.003 | 16.312 | 0.004 | 90 | null | 93.21 | 0.02 | 90 | null | 6,300 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 8 | P 1 21/n 1 | -P 2yn | 14 | [7,11- or 7,8-(μ-thiobenzoate-S:O)-7-(triphenylphosphine-P)-8,9:10,11-di- μH-7-platina-nido-undecaborane] 0.5-dichloromethane | - C25.5 H32 B10 Cl O P Pt S - | - C25.5 H27 B10 Cl O P Pt S - | - C204 H216 B80 Cl8 O8 P8 Pt8 S8 - | 8 | 2 | BM1188 | Chun-Hua Hu; Jian-Min Dou; Jie Sun; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Pei-Ju Zheng | Exopolyhedral Cyclized Platinaundecaboranes: [(PPh~3~)(PhCOS)PtB~10~H~11~].0.5CH~2~Cl~2~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1089 | 1091 | 10.1107/S010827019800290X | 0.71073 | MoKα | 0.121 | 0.076 | null | null | null | 0.258 | null | null | null | null | null | 1.102 | null | null | has coordinates | Chun-Hua Hu; Jian-Min Dou; Jie Sun; Hai-Jun Yao; Jing-De Wei; Ruo-Shui Jin; Pei-Ju Zheng
Exopolyhedral Cyclized Platinaundecaboranes: [(PPh~3~)(PhCOS)PtB~10~H~11~].0.5CH~2~Cl~2~
Acta Crystallographica Section C
54(8)
(1998)
1089-1091 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007497.cif $
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2,007,498 | 8.108 | 0.005 | 5.345 | 0.001 | 16.68 | 0.011 | 90 | null | 94.16 | 0.03 | 90 | null | 721 | 0.7 | 291 | 2 | 291 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H14 N4 S2 - | - C14 H14 N4 S2 - | - C28 H28 N8 S4 - | 2 | 0.5 | BM1197 | Bermejo, Elena; Carballo, Rosa; Castiñeiras, Alfonso; Maichle-Mössmer, Cäcilia | <i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)dithiooxamide | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1130 | 1131 | 10.1107/S0108270198002510 | 1.54184 | CuKα | 0.104 | 0.052 | null | null | null | 0.146 | null | null | null | null | null | 1.027 | null | null | has coordinates | Bermejo, Elena; Carballo, Rosa; Castiñeiras, Alfonso; Maichle-Mössmer, Cäcilia
<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)dithiooxamide
Acta Crystallographica Section C
54(8)
(1998)
1130-1131 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007498.cif $
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2,229,996 | 7.951 | 0.003 | 10.249 | 0.003 | 11.109 | 0.004 | 76.7 | 0.03 | 77.42 | 0.03 | 76.5 | 0.02 | 843.7 | 0.5 | 292 | 2 | 292 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | Diethyl 4,6-diacetamidoisophthalate | - C16 H20 N2 O6 - | - C16 H20 N2 O6 - | - C32 H40 N4 O12 - | 2 | 1 | HB5828 | Li, Peishen; Li, Xianghui; Chen, Chao; Yuan, Lihua; Feng, Wen | Diethyl 4,6-diacetamidoisophthalate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1185 | 10.1107/S1600536811013845 | 0.71073 | MoKα | 0.1289 | 0.079 | null | null | 0.2339 | 0.2675 | null | null | null | null | null | 1.087 | null | null | has coordinates,has Fobs | Li, Peishen; Li, Xianghui; Chen, Chao; Yuan, Lihua; Feng, Wen
Diethyl 4,6-diacetamidoisophthalate
Acta Crystallographica Section E
67(5)
(2011)
o1185 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229996.cif $
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2,007,499 | 8.972 | 0.001 | 8.972 | 0.001 | 34.15 | 0.02 | 90 | null | 90 | null | 120 | null | 2,380.7 | 1.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | R -3 :H | -R 3 | 148 | Kemp's acid-acrylonitrile | (1α,3α,5α)-1,3,5-trimethyl-1,3,5-cyclohexanetricarboxylic acid-acetonitrile | - C14 H21 N O6 - | - C14 H21 N O6 - | - C84 H126 N6 O36 - | 6 | 0.333333 | BM1202 | Hirose, Takuji; Baldwin, Bruce W.; Wang, Zhen-He; Kennard, Colin H. L. | (1α,3α,5α)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic Acid Acetonitrile Solvate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1143 | 1144 | 10.1107/S0108270198001024 | 0.71073 | MoKα | 0.08 | 0.05 | null | null | null | 0.152 | null | null | null | null | null | 1.096 | null | null | has coordinates | Hirose, Takuji; Baldwin, Bruce W.; Wang, Zhen-He; Kennard, Colin H. L.
(1α,3α,5α)-1,3,5-Trimethyl-1,3,5-cyclohexanetricarboxylic Acid Acetonitrile Solvate
Acta Crystallographica Section C
54(8)
(1998)
1143-1144 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/74/2007499.cif $
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2,007,500 | 10.128 | 0.002 | 10.599 | 0.002 | 12.784 | 0.004 | 86.75 | 0.02 | 86.35 | 0.02 | 79.079 | 0.009 | 1,343.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Iodo (1,10-Phenathroline-N,N')(Triphenylphosphine) Copper(I) | - C30 H23 Cu I N2 P - | - C30 H23 Cu I N2 P - | - C60 H46 Cu2 I2 N4 P2 - | 2 | 1 | BM1209 | Jin, Qiong-Hua; Xin, Xiu-Lan; Dong, Cheng-Jun; Zhu, Hui-Ju | Iodo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1087 | 1089 | 10.1107/S0108270198001991 | 0.71073 | MoKα | null | 0.0312 | null | null | null | 0.0843 | null | null | null | null | null | 1.117 | null | null | has coordinates | Jin, Qiong-Hua; Xin, Xiu-Lan; Dong, Cheng-Jun; Zhu, Hui-Ju
Iodo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)
Acta Crystallographica Section C
54(8)
(1998)
1087-1089 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007500.cif $
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2,007,501 | 11.0341 | 0.0008 | 11.0341 | 0.0008 | 62.874 | 0.009 | 90 | null | 90 | null | 120 | null | 6,629.4 | 1.2 | 150 | 2 | 150 | 2 | null | null | null | null | 3 | P 31 2 1 | P 31 2" | 152 | β-dihydroentandrophragmin | - C44.42 H60.84 O17.71 - | - C44.42 H60.84 O17.71 - | - C266.52 H365.04 O106.26 - | 6 | 1 | BM1227 | Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon | β-Dihydroentandrophragmin–Ethyl Acetate (1/0.355) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1182 | 1184 | 10.1107/S0108270198006076 | 1.54184 | CuKα | 0.093 | 0.075 | null | null | null | 0.21 | null | null | null | null | null | 1.043 | null | null | has coordinates,has disorder | Baxter, Robert L.; Dijksma, Fokke J. J.; Gould, Robert O.; Parsons, Simon
β-Dihydroentandrophragmin–Ethyl Acetate (1/0.355)
Acta Crystallographica Section C
54(8)
(1998)
1182-1184 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,502 | 6.4542 | 0.0014 | 12.388 | 0.003 | 13.501 | 0.003 | 90 | null | 93.2 | 0.02 | 90 | null | 1,077.8 | 0.4 | 143 | 2 | 143 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Benzo[g]imidazo[1,2-a]-2,3,5,6,7,8-hexahydro-quinazoline | - C14 H13 N3 - | - C14 H13 N3 - | - C56 H52 N12 - | 4 | 1 | BM1232 | Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Jones, Peter G. | 1,2,3,4-Tetrahydrobenzimidazo[2,1-<i>b</i>]quinazoline | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1109 | 1111 | 10.1107/S0108270198003278 | 0.71073 | MoKα | 0.083 | 0.051 | null | 0.126 | 0.109 | null | null | null | 1.047 | 1.108 | 1.108 | null | null | null | has coordinates | Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Jones, Peter G.
1,2,3,4-Tetrahydrobenzimidazo[2,1-<i>b</i>]quinazoline
Acta Crystallographica Section C
54(8)
(1998)
1109-1111 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007502.cif $
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2,007,503 | 8.105 | 0.004 | 9.292 | 0.004 | 10.283 | 0.004 | 109.67 | 0.03 | 102.76 | 0.03 | 107.14 | 0.02 | 651.3 | 0.5 | 143 | 2 | 143 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H15 N3 - | - C17 H15 N3 - | - C34 H30 N6 - | 2 | 1 | Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G. | 2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile | Acta Crystallographica Section C | 1,998 | 54 | 1107 | 1109 | null | null | 0.055 | null | null | 0.096 | null | null | null | null | null | null | null | null | null | has coordinates | Elgemeie, Galal E. H.; Fathy, Nahed M.; Hopf, Henning; Dix, Ina; Jones, Peter G.
2,3,4,5-Tetrahydrocyclohepta[b]pyrido[2,1-a]benzimidazole-7-carbonitrile
Acta Crystallographica Section C
54
(1998)
1107-1109 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007503.cif $
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2,007,504 | 8.5161 | 0.0004 | 10.039 | 0.0004 | 7.5138 | 0.0003 | 90 | null | 95.372 | 0.003 | 90 | null | 639.56 | 0.05 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | calcium iodate monohydrate | calcium iodate monohydrate | - Ca D2 I O7 - | - Ca D2.01 I2 O7 - | - Ca4 D8.04 I8 O28 - | 4 | 1 | BR1201 | Peter, Stefan; Suchanek, Ellen; Roisnel, Thierry; Lutz, Heinz Dieter | Neutron Powder Diffraction Study on Highly Deuterated Ca(IO~3~)~2~.D~2~O | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1064 | 1066 | 10.1107/S010827019800167X | neutron | 1.2272 | neutron | 0.039 | null | null | null | null | null | null | null | 1.3 | null | null | null | null | null | has coordinates | Peter, Stefan; Suchanek, Ellen; Roisnel, Thierry; Lutz, Heinz Dieter
Neutron Powder Diffraction Study on Highly Deuterated Ca(IO~3~)~2~.D~2~O
Acta Crystallographica Section C
54(8)
(1998)
1064-1066 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007504.cif $
#-------------------------------------------------------------------... | ||||||||
2,229,995 | 17.6607 | 0.0012 | 15.1593 | 0.001 | 8.9192 | 0.0006 | 90 | null | 90 | null | 90 | null | 2,387.9 | 0.3 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P n a 21 | P 2c -2n | 33 | Diphenylphosphonimidotriphenylphosphorane | Diphenylphosphonimidotriphenylphosphorane | - C30 H25 N O P2 - | - C30 H25 N O P2 - | - C120 H100 N4 O4 P8 - | 4 | 1 | HB5826 | Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk | Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1028 | o1029 | 10.1107/S1600536811011500 | 0.71073 | MoKα | 0.0292 | 0.0273 | null | null | 0.0739 | 0.0763 | null | null | null | null | null | 1.108 | null | null | has coordinates,has Fobs | Betz, Richard; Gerber, Thomas; Hosten, Eric; Schalekamp, Henk
Redetermined structure of diphenylphosphonimidotriphenylphosphorane: location of the hydrogen atoms and analysis of the intermolecular interactions
Acta Crystallographica Section E
67(5)
(2011)
o1028-o1029 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229995.cif $
#-------------------------------------------------------------------... | |||||||||
2,007,505 | 9.384 | 0.002 | 9.182 | 0.002 | 10.997 | 0.003 | 90 | null | 90 | null | 90 | null | 947.5 | 0.4 | 295 | null | 295 | null | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | Sodium managanese tellurate | - Mn4 Na3 O12 Te2 - | - Mn4 Na3 O12 Te2 - | - Mn16 Na12 O48 Te8 - | 4 | 0.5 | BR1203 | Feger, Christopher R.; Kolis, Joseph W. | Na~3~Mn~4~Te~2~O~12~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1055 | 1057 | 10.1107/S0108270197020076 | 0.71073 | MoKα | 0.068 | 0.048 | null | 0.05 | 0.049 | null | null | null | null | 2.64 | 2.64 | null | null | null | has coordinates | Feger, Christopher R.; Kolis, Joseph W.
Na~3~Mn~4~Te~2~O~12~
Acta Crystallographica Section C
54(8)
(1998)
1055-1057 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007505.cif $
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2,007,506 | 9.2892 | 0.0006 | 9.0724 | 0.0005 | 9.5328 | 0.0012 | 90 | null | 96.15 | 0.006 | 90 | null | 798.76 | 0.12 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H9 O7 P - | - C6 H9 O7 P - | - C24 H36 O28 P4 - | 4 | 1 | CF1164 | Neidle, Stephen; Gaffney, Piers R.J.; Reese, Colin B. | <i>myo</i>-Inositol 1,3,5-Bicyclic Phosphate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1191 | 1192 | 10.1107/S0108270197017435 | 0.7107 | MoKα | 0.0457 | 0.0387 | null | 0.0978 | 0.0927 | null | null | null | 0.576 | 0.609 | 0.609 | null | null | null | has coordinates | Neidle, Stephen; Gaffney, Piers R.J.; Reese, Colin B.
<i>myo</i>-Inositol 1,3,5-Bicyclic Phosphate
Acta Crystallographica Section C
54(8)
(1998)
1191-1192 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007506.cif $
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2,007,507 | 7.654 | 0.001 | 11.282 | 0.002 | 29.404 | 0.004 | 90 | null | 90 | null | 90 | null | 2,539.1 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n a a | -P 2ac 2bc | 56 | - C14 H12 N2 O2 S - | - C14 H12 N2 O2 S - | - C112 H96 N16 O16 S8 - | 8 | 1 | CF1230 | Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard | 10-Ethyl-3-nitrophenothiazine | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1151 | 1152 | 10.1107/S0108270198002522 | 0.71073 | MoKα | 0.041 | 0.039 | null | 0.082 | 0.081 | null | null | null | 0.992 | 1.181 | 1.181 | null | null | null | has coordinates | Hdii, Fatiha; Reboul, Jean-Pierre; Barbe, Jacques; Siri, Didier; Pèpe, Gérard
10-Ethyl-3-nitrophenothiazine
Acta Crystallographica Section C
54(8)
(1998)
1151-1152 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007507.cif $
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2,007,508 | 34.201 | 0.005 | 5.219 | 0.002 | 23.179 | 0.004 | 90 | null | 98.57 | 0.05 | 90 | null | 4,091.1 | 1.9 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C19 H19 N O5 S3 - | - C19 H19 N O5 S3 - | - C152 H152 N8 O40 S24 - | 8 | 1 | CF1236 | TranQui, Duc; Fresneau, Pierre; Cussac, Max | (<i>Z</i>)-5-(1-Methoxy-2-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1152 | 1154 | 10.1107/S0108270198003096 | 0.71073 | MoKα | 0.055 | 0.054 | null | 0.121 | 0.118 | null | null | null | 1.128 | 1.159 | 1.159 | null | null | null | has coordinates | TranQui, Duc; Fresneau, Pierre; Cussac, Max
(<i>Z</i>)-5-(1-Methoxy-2-naphthylmethylene)-4-oxo-2-thioxo-1,3-thiazolidine-3-acetic Acid Dimethyl Sulfoxide Solvate
Acta Crystallographica Section C
54(8)
(1998)
1152-1154 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007508.cif $
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2,007,509 | 10.819 | 0.003 | 4.936 | 0.001 | 23.671 | 0.007 | 90 | null | 91.34 | 0.02 | 90 | null | 1,263.7 | 0.6 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C30 H32 N2 Ni O2 - | - C30 H32 N2 Ni O2 - | - C60 H64 N4 Ni2 O4 - | 2 | 0.5 | CF1237 | Elerman, Yalc̨in; Elmali, Ayhan; Svoboda, Ingrid; Fuess, Hartmut | Bis(<i>N</i>-<i>n</i>-butyl-2-hydroxy-1-naphthaldiminato)nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1076 | 1078 | 10.1107/S0108270198002534 | 0.71069 | MoKα | 0.135 | 0.048 | null | 0.162 | 0.128 | null | null | null | 1.006 | 1.124 | 1.124 | null | null | null | has coordinates | Elerman, Yalc̨in; Elmali, Ayhan; Svoboda, Ingrid; Fuess, Hartmut
Bis(<i>N</i>-<i>n</i>-butyl-2-hydroxy-1-naphthaldiminato)nickel(II)
Acta Crystallographica Section C
54(8)
(1998)
1076-1078 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007509.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,510 | 7.9188 | 0.0014 | 15.01 | 0.003 | 13.422 | 0.002 | 90 | null | 101.064 | 0.003 | 90 | null | 1,565.7 | 0.5 | 180 | 2 | 180 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2',4'-dihydroxy-2-[3"-(4"'-methylphenyl)isoxazol-5"-yl]acetophenone | - C18 H15 N O4 - | - C18 H15 N O4 - | - C72 H60 N4 O16 - | 4 | 1 | CF1247 | Kumar, Naresh; Roy, Sucharita; Parmar, Virinder S.; Errington, William | 2',4'-Dihydroxy-2-[3-(4-methylphenyl)isoxazol-5-yl]acetophenone | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1123 | 1125 | 10.1107/S0108270198003102 | 0.71073 | MoKα | 0.073 | 0.043 | null | null | null | 0.111 | null | null | null | null | null | 0.99 | null | null | has coordinates | Kumar, Naresh; Roy, Sucharita; Parmar, Virinder S.; Errington, William
2',4'-Dihydroxy-2-[3-(4-methylphenyl)isoxazol-5-yl]acetophenone
Acta Crystallographica Section C
54(8)
(1998)
1123-1125 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007510.cif $
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2,229,994 | 7.4581 | 0.0009 | 16.848 | 0.0015 | 21.356 | 0.002 | 90 | null | 90 | null | 90 | null | 2,683.5 | 0.5 | 113 | 2 | 113 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | 1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile | - C16 H10 Cl F N2 - | - C16 H10 Cl F N2 - | - C128 H80 Cl8 F8 N16 - | 8 | 1 | HB5823 | Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong | 1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1041 | 10.1107/S1600536811011214 | 0.71075 | MoKα | 0.0509 | 0.0407 | null | null | 0.1059 | 0.1128 | null | null | null | null | null | 1.112 | null | null | has coordinates,has Fobs | Yang, Kun; Li, Pei-Fan; Liu, Yan; Fang, Zhi-Zhong
1-(2-Chlorophenyl)-6-fluoro-2-methyl-1<i>H</i>-indole-3-carbonitrile
Acta Crystallographica Section E
67(5)
(2011)
o1041 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229994.cif $
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2,007,511 | 5.4965 | 0.0002 | 5.4965 | 0.0002 | 11.137 | 0.001 | 90 | null | 90 | null | 90 | null | 336.47 | 0.03 | 296 | null | null | null | null | null | null | null | 4 | P 41 21 2 | P 4abw 2nw | 92 | - C H2 N4 O - | - C H2 N4 O - | - C4 H8 N16 O4 - | 4 | 0.5 | DA1003 | Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki | 1<i>H</i>-Tetrazol-5(4<i>H</i>)-one | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1160 | 1162 | 10.1107/S0108270198002108 | 0.7107 | MoKα | null | 0.028 | null | null | null | 0.04 | null | null | null | null | null | 1.36 | null | null | has coordinates,has Fobs | Ohno, Yoshio; Akutsu, Yoshiaki; Arai, Mitsuru; Tamura, Masamitsu; Matsunaga, Takehiro; Iida, Mitsuaki
1<i>H</i>-Tetrazol-5(4<i>H</i>)-one
Acta Crystallographica Section C
54(8)
(1998)
1160-1162 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007511.cif $
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2,007,512 | 8.89 | 0.002 | 19.392 | 0.002 | 8.704 | 0.002 | 90 | null | 118.48 | 0.02 | 90 | null | 1,318.9 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 5,5-diphenyl-2-thiohydantoin | 5,5-diphenyl-2-thioimidazolidine-4-one | - C15 H12 N2 O S - | - C15 H12 N2 O S - | - C60 H48 N8 O4 S4 - | 4 | 1 | FG1365 | Roszak, Aleksander W.; Weaver, Donald F. | 5,5-Diphenyl-2-thiohydantoin | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1168 | 1170 | 10.1107/S0108270197019963 | 0.71069 | MoKα | 0.057 | 0.035 | null | 0.112 | 0.095 | null | null | null | 1.105 | 1.136 | 1.136 | null | null | null | has coordinates | Roszak, Aleksander W.; Weaver, Donald F.
5,5-Diphenyl-2-thiohydantoin
Acta Crystallographica Section C
54(8)
(1998)
1168-1170 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007512.cif $
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2,007,513 | 11.715 | 0.002 | 11.385 | 0.005 | 16.071 | 0.003 | 90 | null | 104.57 | 0.01 | 90 | null | 2,074.5 | 1.1 | 298.2 | null | 298.2 | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I) | - C21 H20 O6 P Rh - | - C21 H20 O6 P Rh - | - C84 H80 O24 P4 Rh4 - | 4 | 1 | FG1391 | Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu | Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1085 | 1087 | 10.1107/S0108270198002388 | 0.7107 | MoKα | 0.069 | 0.052 | null | null | null | 0.187 | null | null | null | null | null | 1.175 | null | null | has coordinates | Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu
Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)
Acta Crystallographica Section C
54(8)
(1998)
1085-1087 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
#$Revision: 198601 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007513.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,514 | 8.8847 | 0.0006 | 10.483 | 0.001 | 11.6776 | 0.0013 | 90 | null | 108.375 | 0.008 | 90 | null | 1,032.18 | 0.17 | 293 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | racemic atrolactamidinium chloride | Racemic 2-Hydroxy-2-phenyl-propanamidinium chloride | - C9 H13 Cl N2 O - | - C9 H13 Cl N2 O - | - C36 H52 Cl4 N8 O4 - | 4 | 1 | FG1392 | Barnes, John C.; Weakley, Timothy J.R. | Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1170 | 1173 | 10.1107/S010827019800239X | 0.71073 | MoKα | 0.062 | 0.054 | null | null | null | 0.155 | null | null | null | null | null | 1.823 | null | null | has coordinates,has Fobs | Barnes, John C.; Weakley, Timothy J.R.
Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate
Acta Crystallographica Section C
54(8)
(1998)
1170-1173 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007514.cif $
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2,229,993 | 9.901 | 0.003 | 16.583 | 0.005 | 18.61 | 0.005 | 99.35 | 0.006 | 91.831 | 0.006 | 96.454 | 0.004 | 2,991.9 | 1.5 | 113 | 2 | 113 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate | - C14.5 H15.5 N4.5 O1.5 S - | - C14.5 H15.5 N4.5 O1.5 S - | - C116 H124 N36 O12 S8 - | 8 | 4 | HB5821 | Zhao, Pei-Hua; Jiang, Shao-Liang | 2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1081 | 10.1107/S1600536811011950 | 0.71073 | MoKα | 0.092 | 0.0686 | null | null | 0.1323 | 0.143 | null | null | null | null | null | 1.125 | null | null | has coordinates,has Fobs | Zhao, Pei-Hua; Jiang, Shao-Liang
2-Isonicotinoyl-<i>N</i>-phenylhydrazinecarbothioamide dimethylformamide hemisolvate
Acta Crystallographica Section E
67(5)
(2011)
o1081 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229993.cif $
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2,007,515 | 7.3793 | 0.0009 | 12.917 | 0.004 | 10.2713 | 0.0013 | 90 | null | 109.407 | 0.011 | 90 | null | 923.4 | 0.3 | 293 | 2 | 296 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (S)-2-hydroxy-2-phenylbutanamidinium (R)-mandelate | (S)-2-Hydroxy-2-phenylbutanamidinium (R)-2-Hydroxy-2-phenylethanoate | - C18 H22 N2 O4 - | - C18 H22 N2 O4 - | - C36 H44 N4 O8 - | 2 | 1 | FG1392 | Barnes, John C.; Weakley, Timothy J.R. | Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1170 | 1173 | 10.1107/S010827019800239X | 0.71073 | MoKα | 0.059 | 0.037 | null | null | null | 0.107 | null | null | null | null | null | 1.111 | null | null | has coordinates,has Fobs | Barnes, John C.; Weakley, Timothy J.R.
Racemic 2-Hydroxy-2-phenylpropanamidinium Chloride and (<i>S</i>)-2-Hydroxy-2-phenylbutanamidinium (<i>R</i>)-2-Hydroxy-2-phenylethanoate
Acta Crystallographica Section C
54(8)
(1998)
1170-1173 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007515.cif $
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2,007,516 | 8.6388 | 0.0008 | 12.9233 | 0.0011 | 11.13 | 0.0013 | 90 | null | 90 | null | 90 | null | 1,242.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C m c 21 | C 2c -2 | 36 | - C6 H13 N5 S2 Zn - | - C6 H13 N5 S2 Zn - | - C24 H52 N20 S8 Zn4 - | 4 | 0.5 | FG1401 | Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua | (Diethylenetriamine)bis(isothiocyanato)zinc(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1067 | 1068 | 10.1107/S0108270198002753 | 0.7107 | MoKα | 0.055 | 0.039 | null | 0.098 | 0.095 | null | null | null | 1.071 | 1.173 | 1.173 | null | null | null | has coordinates,has disorder,has Fobs | Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua
(Diethylenetriamine)bis(isothiocyanato)zinc(II)
Acta Crystallographica Section C
54(8)
(1998)
1067-1068 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,007,517 | 10.9634 | 0.0008 | 11.1491 | 0.0008 | 13.2319 | 0.001 | 114.161 | 0.006 | 95.894 | 0.004 | 92.468 | 0.006 | 1,461.4 | 0.2 | 173 | 2 | 173 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | [μ-(4,7-η:16,19-η)-5,24:6,11:12,17:18,23-tetra[1,2]benzeno- tetrabenzo[a,e,i,m]cyclohexadecene]bis{aqua[(2,3-η)toluene]silver(I)} bis(trifluoromethanesulfonate) | - C72 H52 Ag2 F6 O8 S2 - | - C72 H52 Ag2 F6 O8 S2 - | - C72 H52 Ag2 F6 O8 S2 - | 1 | 0.5 | FG1410 | Kammermeier, Stefan; Jones, Peter G.; Dix, Ina; Herges, Rainer | A Silver(I) Complex of a Tube-Shaped Hydrocarbon | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1078 | 1081 | 10.1107/S0108270198002406 | 0.71073 | MoKα | 0.044 | 0.034 | null | 0.08 | 0.077 | null | null | null | 1.051 | 1.122 | 1.122 | null | null | null | has coordinates | Kammermeier, Stefan; Jones, Peter G.; Dix, Ina; Herges, Rainer
A Silver(I) Complex of a Tube-Shaped Hydrocarbon
Acta Crystallographica Section C
54(8)
(1998)
1078-1081 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,518 | 6.4046 | 0.0009 | 5.255 | 0.0008 | 27.634 | 0.003 | 90 | null | 92.111 | 0.008 | 90 | null | 929.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | (+/-)-α-Tetralonecarboxylic Acid | (+/-)-4-Oxo-1,2,3,4-tetrahydronapthalene-1-carboxylic Acid | - C11 H10 O3 - | - C11 H10 O3 - | - C44 H40 O12 - | 4 | 1 | FG1433 | Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J. | (±)-4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid: Hydrogen Bonding and Carboxyl Disordering in a δ-Keto Acid | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1180 | 1182 | 10.1107/S0108270198002765 | 0.71073 | MoKα | 0.074 | 0.041 | null | 0.108 | 0.091 | null | null | null | 1.03 | 1.1 | 1.1 | null | null | null | has coordinates,has disorder | Thompson, Hugh W.; Lalancette, Roger A.; Brunskill, Andrew P. J.
(±)-4-Oxo-1,2,3,4-tetrahydronaphthalene-1-carboxylic Acid: Hydrogen Bonding and Carboxyl Disordering in a δ-Keto Acid
Acta Crystallographica Section C
54(8)
(1998)
1180-1182 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,519 | 12.5595 | 0.0003 | 18.7907 | 0.0007 | 10.375 | 0.002 | 90 | null | 90 | null | 90 | null | 2,448.5 | 0.5 | 180 | null | 180 | null | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | (RS,RS)-1,2-(1-Dinaphthyl)-1,2-diphenyl-ethan-1,2-diol | - C34 H26 O2 - | - C34 H26 O2 - | - C136 H104 O8 - | 4 | 1 | FG1438 | Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C. | α-Naphthyl Phenyl Pinacols | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1148 | 1151 | 10.1107/S0108270198002777 | 0.7107 | MoKα | 0.072 | 0.044 | null | null | null | 0.113 | null | null | 1.3 | null | null | 1.3 | null | null | has coordinates,has Fobs | Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.
α-Naphthyl Phenyl Pinacols
Acta Crystallographica Section C
54(8)
(1998)
1148-1151 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,229,992 | 10.2247 | 0.0002 | 7.6353 | 0.0001 | 10.7292 | 0.0002 | 90 | null | 97.992 | 0.001 | 90 | null | 829.48 | 0.02 | 100 | null | 100 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Royleanone | (4b<i>S</i>,8a<i>S</i>)-3-hydroxy-2-isopropyl-4b,8,8-trimethyl- 4b,5,6,7,8,8a,9,10-octahydrophenanthrene-1,4-dione | - C20 H28 O3 - | - C20 H28 O3 - | - C40 H56 O6 - | 2 | 1 | HB5812 | Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok | Redetermined structure, intermolecular interactions and absolute configuration of royleanone | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1032 | o1033 | 10.1107/S1600536811011457 | 1.54178 | CuKα | 0.0363 | 0.0361 | null | null | 0.0976 | 0.0978 | null | null | null | null | null | 1.056 | null | null | has coordinates,has Fobs | Fun, Hoong-Kun; Chantrapromma, Suchada; Salae, Abdul Wahab; Razak, Ibrahim Abdul; Karalai, Chatchanok
Redetermined structure, intermolecular interactions and absolute configuration of royleanone
Acta Crystallographica Section E
67(5)
(2011)
o1032-o1033 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
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2,007,520 | 11.072 | 0.002 | 11.4926 | 0.0003 | 18.9075 | 0.0007 | 90 | null | 90 | null | 90 | null | 2,405.9 | 0.4 | 180 | null | 180 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 5-(1-naphthyl)-3,5-diphenyl-4-oxa- tricyclo[7.4.0.0^2,6^]trideca-7,9,11,13-tetraen-3-ol | - C34 H26 O2 - | - C34 H26 O2 - | - C136 H104 O8 - | 4 | 1 | FG1438 | Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C. | α-Naphthyl Phenyl Pinacols | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1148 | 1151 | 10.1107/S0108270198002777 | 0.7107 | MoKα | 0.076 | 0.048 | null | null | null | 0.121 | null | null | 1.16 | null | null | 1.16 | null | null | has coordinates,has Fobs | Mak, Thomas C.W.; Patrick, Brian O.; Rettig, Steven J.; Scheffer, John R.; Trotter, James; Ukpabi, Pauline; Wu, Bo-Mu; Yee, Vivien C.
α-Naphthyl Phenyl Pinacols
Acta Crystallographica Section C
54(8)
(1998)
1148-1151 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,521 | 11.832 | 0.001 | 14.216 | 0.002 | 16.649 | 0.003 | 90 | null | 90 | null | 90 | null | 2,800.4 | 0.7 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 3α-Bikhaconine | - C28 H47 N O9 - | - C28 H47 N O9 - | - C112 H188 N4 O36 - | 4 | 1 | FG1439 | Parvez, Masood; Gul, Waseem; Anwar, Saeed | 3α-Bikhaconine Acetone Solvate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1139 | 1141 | 10.1107/S0108270198002546 | 1.54178 | CuKα | 0.059 | 0.057 | null | null | null | 0.149 | null | null | null | null | null | 1.064 | null | null | has coordinates | Parvez, Masood; Gul, Waseem; Anwar, Saeed
3α-Bikhaconine Acetone Solvate
Acta Crystallographica Section C
54(8)
(1998)
1139-1141 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,522 | 8.544 | 0.002 | 13.164 | 0.0013 | 16.8094 | 0.0019 | 90 | null | 90 | null | 90 | null | 1,890.6 | 0.5 | 100 | 2 | 100 | 2 | null | null | null | null | 5 | P c a 21 | P 2c -2ac | 29 | 1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene | - C16 H25 Br Hg O5 - | - C16 H25 Br Hg O5 - | - C64 H100 Br4 Hg4 O20 - | 4 | 1 | FG1440 | Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich | 1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1091 | 1093 | 10.1107/S0108270198002418 | 0.71073 | MoKα | 0.033 | 0.025 | null | null | null | 0.051 | null | null | null | null | null | 0.996 | null | null | has coordinates | Lutz, Martin; Spek, Anthony L.; Markies, Peter R.; Akkerman, Otto S.; Bickelhaupt, Friedrich
1-Bromomercurio-2-(2,5,8,11,14-pentaoxapentadecyl)benzene
Acta Crystallographica Section C
54(8)
(1998)
1091-1093 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,007,523 | 9.0116 | 0.0017 | 12.073 | 0.003 | 8.4305 | 0.0018 | 104.542 | 0.019 | 96.133 | 0.017 | 86.504 | 0.018 | 882.2 | 0.3 | 296 | null | 296 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | sp-9-[o-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene | - C23 H21 Cl - | - C23 H21 Cl - | - C46 H42 Cl2 - | 2 | 1 | FG1442 | Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y. | <i>sp</i>-9-[<i>o</i>-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene: an Unanticipated Exclusive Product from the Reaction of <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol with Thionyl Chloride | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1173 | 1175 | 10.1107/S0108270198002911 | 0.71069 | MoKα | 0.069 | 0.035 | null | null | null | 0.094 | null | null | null | null | null | 1.008 | null | null | has coordinates | Robinson, Paul D.; Hou, Yuqing; Meyers, Cal Y.
<i>sp</i>-9-[<i>o</i>-(β-Chloro-α,α-dimethylethyl)phenyl]fluorene: an Unanticipated Exclusive Product from the Reaction of <i>sp</i>-9-(<i>o</i>-<i>tert</i>-Butylphenyl)-9-fluorenol with Thionyl Chloride
Acta Crystallographica Section C
54(8)
(1998)
1173-1175 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,229,991 | 9.27 | 0.0008 | 14.5143 | 0.001 | 15.9754 | 0.0013 | 93.623 | 0.005 | 104.266 | 0.005 | 101.876 | 0.005 | 2,023.8 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,6-Diaminopyridinium tetraphenylborate–1,2-bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene (1/1) | - C49 H46 B N9 - | - C49 H46 B N9 - | - C98 H92 B2 N18 - | 2 | 1 | GW2100 | Mudraboyina, Bhanu P.; Wang, Hong-Bo; Newbury, Roaxanne; Wisner, James A. | 2,6-Diaminopyridinium tetraphenylborate–1,2-bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene (1/1) | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1222 | 10.1107/S1600536811012943 | 0.71073 | MoKα | 0.1365 | 0.0605 | null | null | 0.1291 | 0.1661 | null | null | null | null | null | 1.001 | null | null | has coordinates,has Fobs | Mudraboyina, Bhanu P.; Wang, Hong-Bo; Newbury, Roaxanne; Wisner, James A.
2,6-Diaminopyridinium tetraphenylborate–1,2-bis(5,7-dimethyl-1,8-naphthyridin-2-yl)diazene (1/1)
Acta Crystallographica Section E
67(5)
(2011)
o1222 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
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2,007,524 | 8.519 | 0.002 | 9.315 | 0.002 | 13.429 | 0.003 | 90 | null | 90 | null | 90 | null | 1,065.7 | 0.4 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C11 H15 N O4 - | - C11 H15 N O4 - | - C44 H60 N4 O16 - | 4 | 1 | FR1088 | Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas | (7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1162 | 1164 | 10.1107/S0108270197019586 | 0.71073 | MoKα | 0.045 | 0.038 | null | 0.078 | 0.074 | null | null | null | 1.06 | 1.06 | 1.06 | null | null | null | has coordinates | Abboud, Khalil A.; Butora, Gabor; Fearnley, Stephen P.; Gum, Andrew G.; Stabile, Michele R.; Hudlicky, Tomas
(7<i>R</i>,8<i>S</i>,10b<i>R</i>)-7,8-Dihydroxy-1,5,6,7,8,9,10,10b-octahydro-3<i>H</i>-1,3-oxazolo[4,3-<i>a</i>]isoquinolin-3-one
Acta Crystallographica Section C
54(8)
(1998)
1162-1164 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,525 | 6.771 | 0.001 | 8.63 | 0.004 | 9.88 | 0.003 | 103.88 | 0.02 | 102.8 | 0.02 | 100.14 | 0.03 | 530.3 | 0.3 | 158 | 2 | 158 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 8-aminoquinolinium chloride dihydrate | - C9 H13 Cl N2 O2 - | - C9 H13 Cl N2 O2 - | - C18 H26 Cl2 N4 O4 - | 2 | 1 | FR1092 | Barry J. Prince; Mark M. Turnbull | 8-Aminoquinolinium Chloride Dihydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1178 | 1180 | 10.1107/S0108270198002133 | 0.71073 | MoKα | 0.048 | 0.04 | null | 0.115 | 0.112 | null | null | null | 1.036 | 1.129 | 1.129 | null | null | null | has coordinates | Barry J. Prince; Mark M. Turnbull
8-Aminoquinolinium Chloride Dihydrate
Acta Crystallographica Section C
54(8)
(1998)
1178-1180 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,526 | 7.161 | 0.0001 | 9.445 | 0.002 | 12.479 | 0.003 | 80.63 | 0.002 | 72.441 | 0.003 | 83.272 | 0.002 | 791.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C17 H19 Cl N2 O - | - C17 H19 Cl N2 O - | - C34 H38 Cl2 N4 O2 - | 2 | 1 | FR1105 | Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz | 3-<i>tert</i>-Butyl-2'-chloro-2-hydroxy-5-methylazobenzene | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1145 | 1146 | 10.1107/S0108270198002923 | 0.71069 | MoKα | 0.074 | 0.055 | null | 0.14 | 0.131 | null | null | null | 1.097 | 1.195 | 1.195 | null | null | null | has coordinates | Işik, Şamil; Aygün, Muhittin; Kocaokutgen, Hasan; Tahir, M. Nawaz
3-<i>tert</i>-Butyl-2'-chloro-2-hydroxy-5-methylazobenzene
Acta Crystallographica Section C
54(8)
(1998)
1145-1146 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,527 | 13.047 | 0.0002 | 13.3683 | 0.0001 | 21.467 | 0.0003 | 90 | null | 90 | null | 90 | null | 3,744.19 | 0.08 | 213 | 2 | 213 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | Adamantyl dithiete | 3,4–Bis(1–adamantyl)–1,2–dithiete | - C22 H30 S2 - | - C22 H30 S2 - | - C176 H240 S16 - | 8 | 2 | FR1112 | Donahue, James P.; Holm, Richard H. | 3,4-Bis(1-adamantyl)-1,2-dithiete: the First Structurally Characterized Dithiete Unsupported by a Ring or Benzenoid Frame | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1175 | 1178 | 10.1107/S0108270198002935 | 0.71073 | MoKα | 0.065 | 0.045 | null | 0.105 | 0.094 | null | null | null | 1.014 | 1.038 | 1.038 | null | null | null | has coordinates | Donahue, James P.; Holm, Richard H.
3,4-Bis(1-adamantyl)-1,2-dithiete: the First Structurally Characterized Dithiete Unsupported by a Ring or Benzenoid Frame
Acta Crystallographica Section C
54(8)
(1998)
1175-1178 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,528 | 17.218 | 0.002 | 8.121 | 0.002 | 19.301 | 0.001 | 90 | null | 91.264 | 0.007 | 90 | null | 2,698.2 | 0.7 | 296 | null | 296 | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | ortho-(1-naphthoyl)benzoic acid | - C18 H12 O3 - | - C18 H12 O3 - | - C144 H96 O24 - | 8 | 1 | FR1119 | Gerkin, Roger E. | <i>ortho</i>-(1-Naphthoyl)benzoic Acid | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1184 | 1186 | 10.1107/S0108270198002868 | 0.71073 | MoKα | null | null | null | null | null | 0.06 | null | null | null | null | null | 1.67 | null | null | has coordinates | Gerkin, Roger E.
<i>ortho</i>-(1-Naphthoyl)benzoic Acid
Acta Crystallographica Section C
54(8)
(1998)
1184-1186 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,529 | 11.591 | 0.001 | 10.891 | 0.001 | 10.903 | 0.001 | 90 | null | 118 | 0.02 | 90 | null | 1,215.3 | 0.3 | 293 | null | 293 | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | Cyclopropylcarboximidamide Hydrochloride | - C4 H9 Cl N2 - | - C4 H9 Cl N2 - | - C32 H72 Cl8 N16 - | 8 | 1 | HA1206 | Barker, James; Powell, Harold R. | Cyclopropylcarboxamidinium Chloride | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1189 | 1191 | 10.1107/S0108270197018829 | 0.71073 | MoKα | null | 0.052 | null | null | 0.053 | null | null | null | null | 1.098 | 1.098 | null | null | null | has coordinates,has Fobs | Barker, James; Powell, Harold R.
Cyclopropylcarboxamidinium Chloride
Acta Crystallographica Section C
54(8)
(1998)
1189-1191 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,530 | 4.2308 | 0.0003 | 14.2071 | 0.0009 | 7.0308 | 0.0005 | 90 | null | 101.961 | 0.001 | 90 | null | 413.43 | 0.05 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | 2,6-dibromo-4-nitroaniline | 2,6-dibromo-4-nitroaniline | - C6 H4 Br2 N2 O2 - | - C6 H4 Br2 N2 O2 - | - C12 H8 Br4 N4 O4 - | 2 | 0.5 | HA1207 | Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy | 2,6-Dibromo-4-nitroaniline | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1113 | 1115 | 10.1107/S0108270198001814 | 0.71073 | MoKα | 0.0666 | 0.0588 | null | 0.1477 | 0.1459 | null | null | null | 0.994 | 1.145 | 1.145 | null | null | null | has coordinates | Bryant, Richard; James, Siân C.; Norman, Nicholas C.; Orpen, A. Guy
2,6-Dibromo-4-nitroaniline
Acta Crystallographica Section C
54(8)
(1998)
1113-1115 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007530.cif $
#-------------------------------------------------------------------... | |||||||||
2,229,990 | 8.9935 | 0.0002 | 10.0413 | 0.0002 | 13.9439 | 0.0003 | 91.189 | 0.001 | 97.957 | 0.001 | 94.869 | 0.001 | 1,241.93 | 0.05 | 173 | 2 | 173 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]isopropylamine- κ^2^<i>N</i>,<i>P</i>}palladium(II) dimethyl sulfoxide monosolvate | - C24 H28 Cl2 N O P Pd S - | - C24 H28 Cl2 N O P Pd S - | - C48 H56 Cl4 N2 O2 P2 Pd2 S2 - | 2 | 1 | GO2010 | Chiririwa, Haleden; Meijboom, Reinout; Omondi, Bernard | Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]isopropylamine-κ^2^<i>N</i>,<i>P</i>}palladium(II) dimethyl sulfoxide monosolvate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m608 | m609 | 10.1107/S1600536811013936 | 0.71073 | MoKα | 0.0393 | 0.0287 | null | null | 0.0642 | 0.0692 | null | null | null | null | null | 1.04 | null | null | has coordinates,has Fobs | Chiririwa, Haleden; Meijboom, Reinout; Omondi, Bernard
Dichlorido{<i>N</i>-[2-(diphenylphosphanyl)benzylidene]isopropylamine-κ^2^<i>N</i>,<i>P</i>}palladium(II) dimethyl sulfoxide monosolvate
Acta Crystallographica Section E
67(5)
(2011)
m608-m609 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 22:30:07 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176789 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229990.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,531 | 9.313 | 0.001 | 19.202 | 0.003 | 22.33 | 0.003 | 90 | null | 90 | null | 90 | null | 3,993.2 | 0.9 | 297 | 2 | 297 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C23 H24 N2 Ni O2 - | - C23 H24 N2 Ni O2 - | - C184 H192 N16 Ni8 O16 - | 8 | 1 | JZ1238 | Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut | Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 –)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1075 | 1076 | 10.1107/S0108270198005228 | 0.71069 | MoKα | 0.133 | 0.037 | null | 0.113 | 0.084 | null | null | null | 1.007 | 1.082 | 1.082 | null | null | null | has coordinates,has disorder,has Fobs | Paulus, Helmut; Svoboda, Ingrid; Fuess, Hartmut
Rerefinement of {1-[(2-Hydroxybenzylidene)aminomethyl]naphthalen-2-olato(2 –)-<i>N</i>,<i>O</i>,<i>O</i>'}(piperidine-<i>N</i>)nickel(II)
Acta Crystallographica Section C
54(8)
(1998)
1075-1076 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007531.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,532 | 6.981 | 0.002 | 8.334 | 0.001 | 8.924 | 0.001 | 90 | null | 112.32 | 0.02 | 90 | null | 480.3 | 0.17 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - Co O7 P2 Zn - | - Co O7 P2 Zn - | - Co4 O28 P8 Zn4 - | 4 | 1 | JZ1256 | Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M. | A Mixed Zinc‒Cobalt Diphosphate, ZnCoP~2~O~7~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1059 | 1062 | 10.1107/S0108270198002820 | 0.71073 | Mo_Kα | 0.048 | 0.041 | null | null | 0.064 | null | null | null | null | 2.011 | 2.011 | null | null | null | has coordinates,has Fobs | Bettach, M.; Benkhouja, K.; Zahir, M.; Rissouli, K.; Sadel, A.; Giorgi, M.; Pierrot, M.
A Mixed Zinc‒Cobalt Diphosphate, ZnCoP~2~O~7~
Acta Crystallographica Section C
54(8)
(1998)
1059-1062 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007532.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,533 | 12.302 | 0.008 | 7.461 | 0.004 | 11.203 | 0.008 | 90 | null | 101.7 | 0.05 | 90 | null | 1,006.9 | 1.1 | 203 | 2 | 203 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | η-cyclopentadienyl-1,2,5,6-η-cyclooctatetraenecobalt' | - C13 H13 Co - | - C13 H13 Co - | - C52 H52 Co4 - | 4 | 1 | JZ1269 | Hubert Wadepohl; Rüdiger Merkel; Hans Pritzkow | [(1,2,5,6-η)-Cyclooctatetraene](η^5^-cyclopentadienyl)cobalt | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1095 | 1097 | 10.1107/S0108270198002078 | 0.7107 | MoKα | 0.0664 | 0.0402 | null | null | null | 0.1042 | null | null | null | null | null | 1.024 | null | null | has coordinates | Hubert Wadepohl; Rüdiger Merkel; Hans Pritzkow
[(1,2,5,6-η)-Cyclooctatetraene](η^5^-cyclopentadienyl)cobalt
Acta Crystallographica Section C
54(8)
(1998)
1095-1097 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007533.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,534 | 9.783 | 0.002 | 11.91 | 0.001 | 10.395 | 0.002 | 90 | null | 99.11 | 0.01 | 90 | null | 1,195.9 | 0.4 | 293 | 2 | 293 | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (2R,3S)-3-Phenyl-2-[(2S,4S)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl] cyclopentanone | - C27 H27 N O4 S - | - C27 H27 N O4 S - | - C54 H54 N2 O8 S2 - | 2 | 1 | JZ1271 | Berger, Bernd; Bolte, Michael | (2<i>R</i>,3<i>S</i>)-3-Phenyl-2-[(2<i>S</i>,4<i>S</i>)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl]cyclopentanone | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1106 | 1107 | 10.1107/S0108270198002169 | 1.5418 | CuKα | 0.032 | 0.032 | null | 0.086 | 0.086 | null | null | null | 1.071 | 1.073 | 1.073 | null | null | null | has coordinates | Berger, Bernd; Bolte, Michael
(2<i>R</i>,3<i>S</i>)-3-Phenyl-2-[(2<i>S</i>,4<i>S</i>)-4-phenyl-3-tosyl-1,3-oxazolidin-2-yl]cyclopentanone
Acta Crystallographica Section C
54(8)
(1998)
1106-1107 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007534.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,535 | 15.1015 | 0.0001 | 9.9128 | 0.0001 | 16.3279 | 0.0002 | 90 | null | 92.359 | 0.001 | 90 | null | 2,442.19 | 0.04 | 173 | null | 173 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | 24,27-diaza-3,6,9,12,15,18-hexaoxa tricyclo [24.4.0.0^20,25^] triaconta-1(26),20,22,24,27,29-hexaene dichloro palladium (II) | - C22 H30 Cl2 N2 O6 Pd - | - C22 H30 Cl2 N2 O6 Pd - | - C88 H120 Cl8 N8 O24 Pd4 - | 4 | 1 | JZ1272 | Luis, Santiago V.; Frías, Juan C.; Burguete, M. Isabel; Bolte, Michael | Organization of the Cavity in a Bipyridyl Crown Ether Through Coordination with PdCl~2~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1093 | 1095 | 10.1107/S0108270198002558 | 0.71073 | MoKα | 0.033 | 0.027 | null | null | null | 0.067 | null | null | null | null | null | 1.138 | null | null | has coordinates,has disorder | Luis, Santiago V.; Frías, Juan C.; Burguete, M. Isabel; Bolte, Michael
Organization of the Cavity in a Bipyridyl Crown Ether Through Coordination with PdCl~2~
Acta Crystallographica Section C
54(8)
(1998)
1093-1095 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007535.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,536 | 8.229 | 0.003 | 11.522 | 0.003 | 14.43 | 0.004 | 66.33 | 0.02 | 79.23 | 0.02 | 70.08 | 0.02 | 1,176.1 | 0.7 | 298 | null | 294 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 9,10-dihydro-1,4-dimethoxy-5,8-dimethyl-cis-9,10-diphenyl- 9,10-anthracenediol | - C30 H28 O4 - | - C30 H28 O4 - | - C60 H56 O8 - | 2 | 1 | JZ1274 | Krieger, Claus; Wartini, Alexander R.; Neugebauer, Franz A. | 9,10-Dihydro-1,4-dimethoxy-5,8-dimethyl-<i>cis</i>-9,10-diphenyl-9,10-anthracenediol, a Crowded Planar 9,10-Dihydroanthracene | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1125 | 1127 | 10.1107/S0108270198003187 | 0.71073 | MoKα | null | 0.068 | null | null | 0.056 | null | null | null | null | 1.022 | 1.022 | null | null | null | has coordinates | Krieger, Claus; Wartini, Alexander R.; Neugebauer, Franz A.
9,10-Dihydro-1,4-dimethoxy-5,8-dimethyl-<i>cis</i>-9,10-diphenyl-9,10-anthracenediol, a Crowded Planar 9,10-Dihydroanthracene
Acta Crystallographica Section C
54(8)
(1998)
1125-1127 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007536.cif $
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2,229,989 | 11.1424 | 0.0009 | 12.7445 | 0.0006 | 16.3298 | 0.0011 | 90.904 | 0.006 | 109.222 | 0.006 | 114.048 | 0.005 | 1,969.1 | 0.3 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | <i>rac</i>-Ethyl (2<i>Z</i>)-3-{2-[(<i>Z</i>)-4-ethoxy- 4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate | - C18 H30 N2 O4 - | - C18 H30 N2 O4 - | - C72 H120 N8 O16 - | 4 | 2 | GK2371 | Harrad, Mohamed Anoir; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado | <i>rac</i>-Ethyl (2<i>Z</i>)-3-{2-[(<i>Z</i>)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1269 | o1270 | 10.1107/S1600536811015248 | 1.54178 | CuKα | 0.0437 | 0.0341 | null | null | 0.0893 | 0.1055 | null | null | null | null | null | 1.155 | null | null | has coordinates,has disorder,has Fobs | Harrad, Mohamed Anoir; Boualy, Brahim; Ali, Mustapha Ait; Firdoussi, Larbi El; Rizzoli, Corrado
<i>rac</i>-Ethyl (2<i>Z</i>)-3-{2-[(<i>Z</i>)-4-ethoxy-4-oxobut-2-en-2-ylamino]cyclohexylamino}but-2-enoate
Acta Crystallographica Section E
67(5)
(2011)
o1269-o1270 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229989.cif $
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2,007,537 | 9.095 | 0.001 | 15.624 | 0.001 | 18.372 | 0.001 | 90 | null | 90 | null | 90 | null | 2,610.7 | 0.4 | 291 | 1 | 291 | 1 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | 1,1-Bis(3-dimethylamino-1,1-dimethylpropyl)-3,3,5,5-tetramethyl-2,4,6-trioxa- 3,5-disila-1-stannacyclohexane | - C18 H44 N2 O3 Si2 Sn - | - C18 H44 N2 O3 Si2 Sn - | - C72 H176 N8 O12 Si8 Sn4 - | 4 | 1 | JZ1276 | Nicole Pieper; Markus Schürmann; Klaus Jurkschat | 6,6-Bis[3-(dimethylamino)-1,1-dimethylpropyl]-2,2,4,4-tetramethyl-1,3,5-trioxa-2,4-disila-6-stannacyclohexane | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1097 | 1099 | 10.1107/S0108270198003199 | 0.71069 | MoKα | 0.0458 | 0.0278 | null | 0.0547 | 0.0509 | null | null | null | 0.94 | 0.985 | 0.985 | null | null | null | has coordinates | Nicole Pieper; Markus Schürmann; Klaus Jurkschat
6,6-Bis[3-(dimethylamino)-1,1-dimethylpropyl]-2,2,4,4-tetramethyl-1,3,5-trioxa-2,4-disila-6-stannacyclohexane
Acta Crystallographica Section C
54(8)
(1998)
1097-1099 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007537.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,538 | 9.573 | 0.002 | 9.778 | 0.002 | 8.562 | 0.002 | 90 | null | 97.49 | 0.03 | 90 | null | 794.6 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | ortho-fluorophenyl-thiourea | 1-(2-Fluorophenyl)thiourea | - C7 H7 F N2 S - | - C7 H7 F N2 S - | - C28 H28 F4 N8 S4 - | 4 | 1 | JZ1278 | Steiner, Thomas | N—H···S and N-H···Ph Hydrogen Bonding in 1-(2-Fluorophenyl)thiourea | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1121 | 1123 | 10.1107/S010827019800242X | 0.71073 | MoKα | 0.044 | 0.036 | null | 0.1 | 0.092 | null | null | null | 1.113 | 1.111 | 1.111 | null | null | null | has coordinates | Steiner, Thomas
N—H···S and N-H···Ph Hydrogen Bonding in 1-(2-Fluorophenyl)thiourea
Acta Crystallographica Section C
54(8)
(1998)
1121-1123 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007538.cif $
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2,007,539 | 14.916 | 0.003 | 9.372 | 0.002 | 19.076 | 0.004 | 90 | null | 107.64 | 0.01 | 90 | null | 2,541.3 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | Phenformin | 1-Phenethylbiguanide hydrochloride (Phenformin) | - C10 H16 Cl N5 - | - C10 H16 Cl N5 - | - C80 H128 Cl8 N40 - | 8 | 2 | KA1267 | Soriano-Lesh, Michelle Ann; Holt, Elizabeth M.; Aguirre García, Fermin; Soriano-García, Manuel | 1-Phenethylguanidinium Chloride | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1187 | 1189 | 10.1107/S0108270198003321 | 0.71073 | MoKα | 0.155 | 0.071 | null | 0.051 | 0.041 | null | null | null | 1.053 | 1.339 | 1.339 | null | null | null | has coordinates | Soriano-Lesh, Michelle Ann; Holt, Elizabeth M.; Aguirre García, Fermin; Soriano-García, Manuel
1-Phenethylguanidinium Chloride
Acta Crystallographica Section C
54(8)
(1998)
1187-1189 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007539.cif $
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2,007,540 | 6.1373 | 0.0006 | 8.979 | 0.002 | 13.3554 | 0.001 | 90 | null | 96.88 | 0.005 | 90 | null | 730.67 | 0.19 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C18 H14 Br N O - | - C18 H14 Br N O - | - C36 H28 Br2 N2 O2 - | 2 | 1 | KA1275 | Elmali, Ayhan; Elerman, Yalc̨in; Kendi̇, Engin | <i>N</i>-(2-Bromo-4-methylphenyl)naphthaldimine | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1137 | 1139 | 10.1107/S0108270198002893 | 0.71069 | MoKα | 0.07 | 0.044 | null | null | null | 0.094 | null | null | null | null | null | 1.254 | null | null | has coordinates | Elmali, Ayhan; Elerman, Yalc̨in; Kendi̇, Engin
<i>N</i>-(2-Bromo-4-methylphenyl)naphthaldimine
Acta Crystallographica Section C
54(8)
(1998)
1137-1139 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007540.cif $
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2,229,988 | 5.6854 | 0.0003 | 21.2391 | 0.0013 | 12.3944 | 0.0007 | 90 | null | 99.295 | 0.003 | 90 | null | 1,477.01 | 0.15 | 173 | 2 | 173 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 3-Cyclohexylsulfonyl-2,5-dimethyl-1-benzofuran | - C16 H20 O3 S - | - C16 H20 O3 S - | - C64 H80 O12 S4 - | 4 | 1 | GK2370 | Seo, Pil Ja; Choi, Hong Dae; Lee, Uk | 3-Cyclohexylsulfonyl-2,5-dimethyl-1-benzofuran | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1225 | 10.1107/S160053681101498X | 0.71073 | MoKα | 0.0573 | 0.04 | null | null | 0.097 | 0.1059 | null | null | null | null | null | 1.045 | null | null | has coordinates,has Fobs | Seo, Pil Ja; Choi, Hong Dae; Lee, Uk
3-Cyclohexylsulfonyl-2,5-dimethyl-1-benzofuran
Acta Crystallographica Section E
67(5)
(2011)
o1225 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229988.cif $
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2,007,541 | 15.33 | 0.001 | 11.829 | 0.002 | 11.631 | 0.002 | 90 | null | 90.104 | 0.014 | 90 | null | 2,109.1 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | Lead molybdenum oxide: Pb~5~MoO~8~ | - Mo O8 Pb5 - | - Mo O8 Pb5 - | - Mo8 O64 Pb40 - | 8 | 2 | NA1328 | Vassilev, Peter; Nihtianova, Diana | Pb~5~O~4~MoO~4~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1062 | 1064 | 10.1107/S0108270198001000 | 0.71073 | MoKα | 0.06 | 0.034 | null | 0.1 | null | 0.076 | null | null | 0.981 | null | null | 1.076 | null | null | has coordinates | Vassilev, Peter; Nihtianova, Diana
Pb~5~O~4~MoO~4~
Acta Crystallographica Section C
54(8)
(1998)
1062-1064 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007541.cif $
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2,007,542 | 6.4494 | 0.0006 | 15 | 0.001 | 21.334 | 0.001 | 90 | null | 90 | null | 90 | null | 2,063.9 | 0.3 | 293 | null | null | null | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | (-)-(2S)-5-(2-Fluorophenyl)-1-methyl-2-(3-thenoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride | - C22 H21 Cl F N3 O S - | - C22 H21 Cl F N3 O S - | - C88 H84 Cl4 F4 N12 O4 S4 - | 4 | 1 | NA1340 | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J. | ({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1133 | 1137 | 10.1107/S0108270198003412 | 1.54184 | CuKα | 0.046 | 0.045 | null | 0.123 | null | 0.123 | null | null | 1.069 | null | null | 1.069 | null | null | has coordinates,has disorder | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.
({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues
Acta Crystallographica Section C
54(8)
(1998)
1133-1137 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007542.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,543 | 6.3344 | 0.0002 | 13.5131 | 0.0007 | 25.693 | 0.002 | 90 | null | 90 | null | 90 | null | 2,199.3 | 0.2 | 293 | null | null | null | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | (-)-(2S)-1,7-Dimethyl-5-phenyl-2-(3-thenoylaminomethyl)-2,3-dihydro-1H- 1,4-benzodiazepin-4-ium Chloride | - C23 H24 Cl N3 O S - | - C23 H24 Cl N3 O S - | - C92 H96 Cl4 N12 O4 S4 - | 4 | 1 | NA1340 | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J. | ({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1133 | 1137 | 10.1107/S0108270198003412 | 1.54184 | CuKα | 0.057 | 0.048 | null | 0.137 | null | 0.137 | null | null | 1.042 | null | null | 1.042 | null | null | has coordinates,has disorder | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.
({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues
Acta Crystallographica Section C
54(8)
(1998)
1133-1137 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007543.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,544 | 11.9932 | 0.0003 | 19.667 | 0.001 | 12.9428 | 0.0007 | 90 | null | 117.471 | 0.004 | 90 | null | 2,708.6 | 0.2 | 293 | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | (-)-(2S)-5-(4-Fluorophenyl)-1,8-dimethyl-2-(p-toluoylaminomethyl)-2,3-dihydro- 1H-1,4-benzodiazepin-4-ium Chloride Methyl isobutyl ketone solvate | - C29 H33 Cl F N3 O1.5 - | - C29 H33 Cl F N3 O1.5 - | - C116 H132 Cl4 F4 N12 O6 - | 4 | 2 | NA1340 | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J. | ({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1133 | 1137 | 10.1107/S0108270198003412 | 1.54184 | CuKα | 0.038 | 0.037 | null | 0.105 | null | 0.105 | null | null | 1.084 | null | null | 1.084 | null | null | has coordinates | Peeters, Oswald M.; Meurisse, Rita L.; Blaton, Norbert M.; De Ranter, Camiel J.
({-})-(2<i>S</i>)-Tifluadom Hydrochloride and Two of its ({-})-(2<i>S</i>)-2-(Acylaminomethyl)benzodiazepine Hydrochloride Analogues
Acta Crystallographica Section C
54(8)
(1998)
1133-1137 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007544.cif $
#-------------------------------------------------------------------... | ||||||||||
2,229,987 | 14.612 | 0.004 | 12.498 | 0.004 | 13.342 | 0.004 | 90 | null | 118.728 | 0.004 | 90 | null | 2,136.6 | 1.1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate- κ<i>O</i>)europium(III) dinitrate | - C12 H18 Eu N5 O17 - | - C12 H18 Eu N5 O17 - | - C48 H72 Eu4 N20 O68 - | 4 | 0.5 | GK2366 | Zhong, Zhi-Guo; Song, Jin-Fan; Li, Jing; Meng, Zhao-Hui | Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate-κ<i>O</i>)europium(III) dinitrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m637 | 10.1107/S1600536811014772 | 0.71073 | MoKα | 0.0149 | 0.0146 | null | null | 0.0376 | 0.0378 | null | null | null | null | null | 1.018 | null | null | has coordinates,has Fobs | Zhong, Zhi-Guo; Song, Jin-Fan; Li, Jing; Meng, Zhao-Hui
Tetraaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')bis(pyridinium-4-carboxylate-κ<i>O</i>)europium(III) dinitrate
Acta Crystallographica Section E
67(5)
(2011)
m637 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229987.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,545 | 11.15 | 0.002 | 11.232 | 0.002 | 12.176 | 0.003 | 65.67 | 0.02 | 84.14 | 0.02 | 65.641 | 0.013 | 1,261.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Di-μ-phenylthio-tetrakis(triethylphosphine)diplatinum(II) hexafluorophosphate | - C36 H70 F12 P6 Pt2 S2 - | - C36 H70 F12 P6 Pt2 S2 - | - C36 H70 F12 P6 Pt2 S2 - | 1 | 0.5 | NA1346 | Bruhn, Clemens; Becke, Steffi; Steinborn, Dirk | Di-μ-phenylthio-bis[bis(triethylphosphine-<i>P</i>)platinum(II)] Bis(hexafluorophosphate), [Pt~2~(μ-SPh)~2~(PEt~3~)~4~](PF~6~)~2~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1102 | 1103 | 10.1107/S0108270198001097 | 0.71073 | MoKα | 0.0356 | 0.0316 | null | 0.0883 | 0.0825 | null | null | null | 1.071 | 1.05 | 1.05 | null | null | null | has coordinates | Bruhn, Clemens; Becke, Steffi; Steinborn, Dirk
Di-μ-phenylthio-bis[bis(triethylphosphine-<i>P</i>)platinum(II)] Bis(hexafluorophosphate), [Pt~2~(μ-SPh)~2~(PEt~3~)~4~](PF~6~)~2~
Acta Crystallographica Section C
54(8)
(1998)
1102-1103 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007545.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,546 | 6.524 | 0.001 | 7.412 | 0.001 | 16.875 | 0.003 | 90 | null | 93.72 | 0.03 | 90 | null | 814.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C20 H24 O3 - | - C20 H24 O3 - | - C40 H48 O6 - | 2 | 1 | NA1351 | Kuhl, Alexander; Kornath, Andreas; Preut, Hans; Kreiser, Wolfgang | 17β-Hydroxymethyl-3-methoxy-19,21-dinorestra-1,3,5(10)-trieno-18,20-lactone | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1115 | 1117 | 10.1107/S0108270198003047 | 0.71069 | MoKα | 0.099 | 0.042 | null | 0.112 | 0.082 | null | null | null | 0.856 | 0.923 | 0.923 | null | null | null | has coordinates | Kuhl, Alexander; Kornath, Andreas; Preut, Hans; Kreiser, Wolfgang
17β-Hydroxymethyl-3-methoxy-19,21-dinorestra-1,3,5(10)-trieno-18,20-lactone
Acta Crystallographica Section C
54(8)
(1998)
1115-1117 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007546.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,547 | 7.2603 | 0.0012 | 9.4959 | 0.0007 | 14.0498 | 0.001 | 90.273 | 0.006 | 99.462 | 0.011 | 89.944 | 0.009 | 955.45 | 0.19 | 293 | null | 293 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C14 H26 Cu N6 O7 - | - C14 H26 Cu N6 O7 - | - C28 H52 Cu2 N12 O14 - | 2 | 1 | OA1033 | Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun | [7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>](nitrato-κ<i>O</i>)copper(II) Nitrate Hydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1069 | 1070 | 10.1107/S0108270198002947 | 0.7107 | MoKα | 0.033 | 0.033 | null | 0.061 | 0.061 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Lu, Tian-Huey; Tung, Shu-Fang; Chi, Ta-Yung; Chung, Chung-Sun
[7-Methyl-3,7,11,17-tetraazabicyclo[11.3.1]heptadeca-1(17),13,15-triene-κ^4^<i>N</i>](nitrato-κ<i>O</i>)copper(II) Nitrate Hydrate
Acta Crystallographica Section C
54(8)
(1998)
1069-1070 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007547.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,548 | 10.579 | 0.003 | 10.124 | 0.003 | 15.147 | 0.003 | 90 | null | 90 | null | 90 | null | 1,622.3 | 0.7 | 298 | 2 | 298 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (2R, 3R, 4R)- cis-4-acetamido-3-hydroxy-2-dimethoxymethyl-2-methyl- 6-nitro-3,4-dihydro-2H-1-benzopyran | - C15 H20 N2 O7 - | - C15 H20 N2 O7 - | - C60 H80 N8 O28 - | 4 | 1 | OA1040 | Yoon, Tae-Sung; Yoo, Sung Eun; Shin, Whanchul | <i>N</i>-(2-Dimethoxymethyl-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2<i>H</i>-1-benzopyran-4-yl)acetamide | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1146 | 1148 | 10.1107/S0108270198000250 | 0.7107 | MoKα | 0.0913 | 0.047 | null | 0.109 | 0.083 | null | null | null | 1.08 | 1.14 | 1.14 | null | null | null | has coordinates | Yoon, Tae-Sung; Yoo, Sung Eun; Shin, Whanchul
<i>N</i>-(2-Dimethoxymethyl-3-hydroxy-2-methyl-6-nitro-3,4-dihydro-2<i>H</i>-1-benzopyran-4-yl)acetamide
Acta Crystallographica Section C
54(8)
(1998)
1146-1148 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007548.cif $
#-------------------------------------------------------------------... | ||||||||||
2,007,549 | 8.9245 | 0.001 | 14.9611 | 0.001 | 15.7331 | 0.0013 | 90 | null | 96.184 | 0.01 | 90 | null | 2,088.5 | 0.3 | 293 | null | 293 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C15 H32 Cl Cu N5 O4 S - | - C15 H32 Cl Cu N5 O4 S - | - C60 H128 Cl4 Cu4 N20 O16 S4 - | 4 | 1 | OA1047 | Lu, Tian-Huey; Shui, Wei-Ze; Tung, Shu-Fang; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun | (Isothiocyanato-κ<i>N</i>)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) Perchlorate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1071 | 1072 | 10.1107/S0108270198001711 | 0.7107 | MolybdenumKα | 0.041 | 0.041 | null | 0.053 | 0.052 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Lu, Tian-Huey; Shui, Wei-Ze; Tung, Shu-Fang; Chi, Ta-Yung; Liao, Fen-Ling; Chung, Chung-Sun
(Isothiocyanato-κ<i>N</i>)(1,4,8,11-tetramethyl-1,4,8,11-tetraazacyclotetradecane-κ^4^<i>N</i>)copper(II) Perchlorate
Acta Crystallographica Section C
54(8)
(1998)
1071-1072 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007549.cif $
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2,007,550 | 11.28 | 0.003 | 13.417 | 0.002 | 8.986 | 0.002 | 90 | null | 90 | null | 90 | null | 1,360 | 0.5 | 298 | null | null | null | null | null | null | null | 6 | P 2 21 21 | P 2bc 2 | 18 | - C16 H28 Cl3 Co N6 O16 - | - C16 H28 Cl2.5 Co0.5 N6 O16 - | - C32 H56 Cl5 Co N12 O32 - | 2 | 0.5 | OA1050 | Hideaki Kanno; Shunji Utsuno; Junnosuke Fujita; Kinya Iijima | Absolute Configuration of (+)~589~-(4,4'-Dimethoxy-2,2'-bipyridine 1,1'-dioxide-<i>O</i>,<i>O</i>')bis(ethylene-diamine-<i>N</i>,<i>N</i>')cobalt(III) Triperchlorate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1083 | 1085 | 10.1107/S0108270198002959 | 0.71073 | MoKα | null | 0.056 | null | null | null | 0.07 | null | null | null | null | null | 1.433 | null | null | has coordinates,has Fobs | Hideaki Kanno; Shunji Utsuno; Junnosuke Fujita; Kinya Iijima
Absolute Configuration of (+)~589~-(4,4'-Dimethoxy-2,2'-bipyridine 1,1'-dioxide-<i>O</i>,<i>O</i>')bis(ethylene-diamine-<i>N</i>,<i>N</i>')cobalt(III) Triperchlorate
Acta Crystallographica Section C
54(8)
(1998)
1083-1085 | 198,601 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-10 18:33:26 +0300 (Mon, 10 Jul 2017) $
#$Revision: 198601 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007550.cif $
#-------------------------------------------------------------------... | |||||||||||
2,229,986 | 14.325 | 0.002 | 7.393 | 0.002 | 19.726 | 0.0012 | 90 | null | 109.42 | 0.02 | 90 | null | 1,970.2 | 0.7 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21- pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa- 1(15),2(11),3,9(10),16,22(23)-hexaene | - C24 H24 O5 - | - C24 H24 O5 - | - C96 H96 O20 - | 4 | 0.5 | GK2364 | Tafeenko, Viktor A.; Aslanov, Leonid A.; Puretskiy, Nikolay A.; Fedotov, Aleksander N.; Mochalov, Sergei S. | <i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21-pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa-1(15),2(11),3,9(10),16,22(23)-hexaene | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1180 | 10.1107/S1600536811013961 | 0.56085 | AgKα | 0.1371 | 0.0619 | null | null | 0.1351 | 0.1696 | null | null | null | null | null | 1.009 | null | null | has coordinates,has Fobs | Tafeenko, Viktor A.; Aslanov, Leonid A.; Puretskiy, Nikolay A.; Fedotov, Aleksander N.; Mochalov, Sergei S.
<i>rac</i>-12,14-Dicyclopropyl-5,8,13,18,21-pentaoxapentacyclo[13.8.0.0^2,11^.0^4,9^.0^17,22^]tricosa-1(15),2(11),3,9(10),16,22(23)-hexaene
Acta Crystallographica Section E
67(5)
(2011)
o1180 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229986.cif $
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2,007,551 | 11.898 | 0.003 | 29.39 | 0.005 | 11.634 | 0.002 | 90 | null | 90 | null | 90 | null | 4,068.2 | 1.4 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 9-Deoxy-15-hydroxycotylenol | 9-Deoxy-15-hydroxycotylenol | - C21 H34 O4 - | - C21 H34 O4 - | - C168 H272 O32 - | 8 | 2 | OA1053 | Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi | 9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1165 | 1168 | 10.1107/S010827019800256X | 1.54184 | CuKα | 0.083 | 0.061 | null | 0.189 | 0.168 | null | null | null | 1.055 | 1.067 | 1.067 | null | null | null | has coordinates,has disorder | Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi
9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol
Acta Crystallographica Section C
54(8)
(1998)
1165-1168 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007551.cif $
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2,007,552 | 12.703 | 0.003 | 17.141 | 0.003 | 9.203 | 0.001 | 90 | null | 90 | null | 90 | null | 2,003.9 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 9-Deoxy-19-hydroxycotylenol | 9-Deoxy-19-hydroxycotylenol | - C21 H34 O4 - | - C21 H34 O4 - | - C84 H136 O16 - | 4 | 1 | OA1053 | Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi | 9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1165 | 1168 | 10.1107/S010827019800256X | 1.54184 | CuKα | 0.066 | 0.06 | null | 0.182 | 0.173 | null | null | null | 1.067 | 1.06 | 1.06 | null | null | null | has coordinates | Kato, Nobuo; Li, Feng; Mori, Akira; Takeshita, Hitoshi; Sassa, Takeshi
9-Deoxy-15-hydroxy- and 9-Deoxy-19-hydroxycotylenol
Acta Crystallographica Section C
54(8)
(1998)
1165-1168 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007552.cif $
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2,007,553 | 7.392 | 0.002 | 8.965 | 0.006 | 14.925 | 0.004 | 90 | null | 102.9 | 0.02 | 90 | null | 964.1 | 0.7 | 293 | null | 293 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H10 O2 - | - C12 H10 O2 - | - C48 H40 O8 - | 4 | 1 | OS1005 | Byrne, Janice J.; Chavant, Pierre Y.; Averbuch-Pouchot, Marie-Thérèse; Vallée, Yannick | 2,2'-Biphenol | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1154 | 1156 | 10.1107/S0108270198002431 | 0.7107 | MoKα | 0.042 | 0.042 | null | 0.053 | 0.053 | null | null | null | 1.768 | 1.768 | 1.768 | null | null | null | has coordinates,has Fobs | Byrne, Janice J.; Chavant, Pierre Y.; Averbuch-Pouchot, Marie-Thérèse; Vallée, Yannick
2,2'-Biphenol
Acta Crystallographica Section C
54(8)
(1998)
1154-1156 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007553.cif $
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2,007,554 | 6.4014 | 0.0011 | 9.2804 | 0.0012 | 13.606 | 0.002 | 90 | null | 93.126 | 0.018 | 90 | null | 807.1 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | A 1 2/m 1 | -A 2y | 12 | Hexaquocobalt(II)-cyclopropane-1,1-hydrogencarboxylate | - C10 H22 Co O14 - | - C10 H8 Co O14 - | - C20 H16 Co2 O28 - | 2 | 0.25 | OS1008 | Schwarz, Thomas; Petri, Alke; Schilling, Joachim; Lentz, Axel | Hexaaquacobalt(II) Bis(hydrogen cyclopropane-1,1-dicarboxylate) | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1104 | 1105 | 10.1107/S0108270198002960 | 0.71073 | MoKα | 0.038 | 0.037 | null | null | null | 0.107 | null | null | null | null | null | 1.21 | null | null | has coordinates | Schwarz, Thomas; Petri, Alke; Schilling, Joachim; Lentz, Axel
Hexaaquacobalt(II) Bis(hydrogen cyclopropane-1,1-dicarboxylate)
Acta Crystallographica Section C
54(8)
(1998)
1104-1105 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007554.cif $
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2,007,555 | 8.007 | 0.001 | 5.546 | 0.001 | 19.289 | 0.002 | 90 | null | 95.62 | 0.01 | 90 | null | 852.4 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Dimethanolbis(N-nitroso-N-phenyl-hydroxylaminato-O,O')cobalt(II) | - C14 H18 Co N4 O6 - | - C14 H18 Co N4 O6 - | - C28 H36 Co2 N8 O12 - | 2 | 0.5 | QB0041 | Andrea Deák; László Párkányi; Alajos Kálmán; Monica Venter; Ionel Haiduc | Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')cobalt(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800036 | 10.1107/S0108270198099478 | 0.7107 | MoKα | 0.1277 | 0.0531 | null | null | null | 0.1331 | null | null | null | null | null | 0.875 | null | null | has coordinates | Andrea Deák; László Párkányi; Alajos Kálmán; Monica Venter; Ionel Haiduc
Dimethanolbis(<i>N</i>-nitroso-<i>N</i>-phenylhydroxylaminato-<i>O</i>,<i>O</i>')cobalt(II)
Acta Crystallographica Section C
54(8)
(1998)
IUC9800036 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007555.cif $
#-------------------------------------------------------------------... | |||||||||||
2,229,985 | 11.3553 | 0.0006 | 11.5915 | 0.0005 | 12.2542 | 0.0008 | 90 | null | 98.685 | 0.006 | 90 | null | 1,594.46 | 0.15 | 170 | 2 | 170 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin- 3-yl)ethyl]-1,3-oxazolidin-2-one | - C17 H15 Br N4 O2 - | - C17 H15 Br N4 O2 - | - C68 H60 Br4 N16 O8 - | 4 | 1 | GK2362 | Ouzidan, Younes; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; Essassi, El Mokhtar; El Ammari, Lahcen | 3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)ethyl]-1,3-oxazolidin-2-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1095 | 10.1107/S1600536811012669 | 0.71073 | MoKα | 0.0582 | 0.0368 | null | null | 0.0802 | 0.0905 | null | null | null | null | null | 1.026 | null | null | has coordinates,has Fobs | Ouzidan, Younes; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; Essassi, El Mokhtar; El Ammari, Lahcen
3-[2-(6-Bromo-2-phenyl-3<i>H</i>-imidazo[4,5-<i>b</i>]pyridin-3-yl)ethyl]-1,3-oxazolidin-2-one
Acta Crystallographica Section E
67(5)
(2011)
o1095 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229985.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,556 | 9.2118 | 0.0001 | 12.0569 | 0.0002 | 12.0845 | 0.0002 | 104.471 | 0.001 | 97.954 | 0.001 | 102.247 | 0.001 | 1,243.77 | 0.03 | 173 | 2 | 173 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C22 H35 N3 Si2 W - | - C22 H35 N3 Si2 W - | - C44 H70 N6 Si4 W2 - | 2 | 1 | QB0044 | Wang, Shu-Yu S.; Boncella, James M.; Abboud, Khalil A. | [<i>N</i>,<i>N</i>'-Bis(trimethylsilyl)-<i>o</i>-phenylenediamido](1,4-butanediyl)(phenylimido)tungsten(VI), a Deactivation Product from Olefin Metathesis Polymerization | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800035 | 10.1107/S010827019809948X | 0.71073 | MoKα | 0.0293 | 0.0244 | null | null | 0.0564 | 0.0588 | null | null | null | null | null | 1.055 | null | null | has coordinates,has disorder | Wang, Shu-Yu S.; Boncella, James M.; Abboud, Khalil A.
[<i>N</i>,<i>N</i>'-Bis(trimethylsilyl)-<i>o</i>-phenylenediamido](1,4-butanediyl)(phenylimido)tungsten(VI), a Deactivation Product from Olefin Metathesis Polymerization
Acta Crystallographica Section C
54(8)
(1998)
IUC9800035 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007556.cif $
#-------------------------------------------------------------------... | ||||||||||||
2,007,557 | 6.4346 | 0.0012 | 9.837 | 0.002 | 13.116 | 0.002 | 90 | null | 90.59 | 0.02 | 90 | null | 830.2 | 0.3 | 158 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | (2S,3R,5S)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine | - C17 H25 N O3 - | - C17 H25 N O3 - | - C34 H50 N2 O6 - | 2 | 1 | QB0045 | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael | (2<i>S</i>,3<i>R</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800039 | 10.1107/S0108270198099429 | 0.71073 | Mo-Kα | 0.0952 | 0.0607 | null | null | null | 0.1037 | null | null | null | null | null | 1.47 | null | null | has coordinates,has Fobs | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael
(2<i>S</i>,3<i>R</i>,5<i>S</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K
Acta Crystallographica Section C
54(8)
(1998)
IUC9800039 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007557.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,558 | 5.6316 | 0.0004 | 12.498 | 0.002 | 23.592 | 0.002 | 90 | null | 90 | null | 90 | null | 1,660.5 | 0.3 | 158 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (2S,3S,5R)-2-benzyl-N-(tert-butoxycarbonyl)-3-hydroxy-5-methyl- pyrrolidine | - C17 H25 N O3 - | - C17 H25 N O3 - | - C68 H100 N4 O12 - | 4 | 1 | QB0046 | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael | (2<i>S</i>,3<i>S</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800038 | 10.1107/S0108270198099430 | 0.71073 | Mo-Kα | 0.097 | 0.0537 | null | null | null | 0.0878 | null | null | null | null | null | 1.256 | null | null | has coordinates,has Fobs | Bats, Jan W.; Heinrich, Timo; Reggelin, Michael
(2<i>S</i>,3<i>S</i>,5<i>R</i>)-2-Benzyl-<i>N</i>-(<i>tert</i>-butoxycarbonyl)-3-hydroxy-5-methylpyrrolidine at 158K
Acta Crystallographica Section C
54(8)
(1998)
IUC9800038 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007558.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,559 | 12.799 | 0.001 | 19.842 | 0.002 | 6.079 | 0.001 | 90 | null | 90 | null | 90 | null | 1,543.8 | 0.3 | 292 | null | 292 | null | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Bis-ethanediammoniumchloride tetrachloromercurate | - C4 H20 Cl6 Hg N4 - | - C4 H20 Cl6 Hg N4 - | - C16 H80 Cl24 Hg4 N16 - | 4 | 0.5 | QB0047 | Spengler, Roland; Zouari, Ridha; Ben Salah, Abdelhamid; Zimmermann, Helmuth; Burzlaff, Hans | Redetermination of Bis(1,2-ethanediammonium) Dichloride Tetrachloromercurate(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800034 | 10.1107/S0108270198099491 | 0.70926 | MoKα1 | null | 0.04 | null | null | 0.052 | null | null | null | null | 0.97 | 0.97 | null | null | null | has coordinates | Spengler, Roland; Zouari, Ridha; Ben Salah, Abdelhamid; Zimmermann, Helmuth; Burzlaff, Hans
Redetermination of Bis(1,2-ethanediammonium) Dichloride Tetrachloromercurate(II)
Acta Crystallographica Section C
54(8)
(1998)
IUC9800034 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007559.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,560 | 11.761 | 0.003 | 12.102 | 0.004 | 13.371 | 0.003 | 89.28 | 0.04 | 74.76 | 0.02 | 63.8 | 0.04 | 1,635.7 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tris(1,2-diammonium,2-methylpropan) cyclohexaphosphate trihydrate | - C12 H48 N6 O21 P6 - | - C12 H43 N6 O21 P6 - | - C24 H86 N12 O42 P12 - | 2 | 1 | QB0051 | Charfi, Miriem; Jouini, Amor; Pierrot, Marcel | Disorder in Tris(2-methyl-1,2-propanediammonium) <i>cyclo</i>-Hexaphosphate Trihydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800041 | 10.1107/S0108270198099417 | 0.71069 | MoKα | 0.0532 | 0.046 | null | 0.1363 | 0.1322 | null | null | null | 1.096 | 1.141 | 1.141 | null | null | null | has coordinates,has disorder | Charfi, Miriem; Jouini, Amor; Pierrot, Marcel
Disorder in Tris(2-methyl-1,2-propanediammonium) <i>cyclo</i>-Hexaphosphate Trihydrate
Acta Crystallographica Section C
54(8)
(1998)
IUC9800041 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007560.cif $
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2,229,984 | 7.7398 | 0.0004 | 17.1869 | 0.0009 | 8.4856 | 0.0005 | 90 | null | 101.459 | 0.006 | 90 | null | 1,106.28 | 0.11 | 170 | 2 | 170 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-Bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one | - C13 H10 N2 O - | - C13 H10 N2 O - | - C52 H40 N8 O4 - | 4 | 1 | GK2361 | Ouzidan, Younes; Kandri Rodi, Youssef; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; El Ammari, Lahcen | 1,3-Bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one | Acta Crystallographica Section E | 2,011 | 67 | 5 | o1091 | 10.1107/S1600536811012578 | 0.71073 | MoKα | 0.0486 | 0.0402 | null | null | 0.0975 | 0.1038 | null | null | null | null | null | 1.053 | null | null | has coordinates,has Fobs | Ouzidan, Younes; Kandri Rodi, Youssef; Jasinski, Jerry P.; Butcher, Raymond J.; Golen, James A.; El Ammari, Lahcen
1,3-Bis(prop-2-ynyl)-1<i>H</i>-1,3-benzimidazol-2(3<i>H</i>)-one
Acta Crystallographica Section E
67(5)
(2011)
o1091 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301805 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/22/99/2229984.cif $
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2,007,561 | 11.749 | 0.002 | 6.849 | 0.002 | 12.592 | 0.002 | 90 | null | 91.8 | 0.03 | 90 | null | 1,012.8 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Piperazinium dihydrogendiphosphate | - C4 H14 N2 O7 P2 - | - C4 H14 N2 O7 P2 - | - C16 H56 N8 O28 P8 - | 4 | 1 | QB0052 | Charfi, Miriem; Jouini, Amor; Pierrot, Marcel | Piperazine-1,4-diium Dihydrogendiphosphate | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800042 | 10.1107/S0108270198099405 | 0.71069 | MoKα | 0.0376 | 0.0323 | null | 0.0896 | 0.0867 | null | null | null | 1.071 | 1.113 | 1.113 | null | null | null | has coordinates,has Fobs | Charfi, Miriem; Jouini, Amor; Pierrot, Marcel
Piperazine-1,4-diium Dihydrogendiphosphate
Acta Crystallographica Section C
54(8)
(1998)
IUC9800042 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007561.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,562 | 8.3429 | 0.0004 | 11.0878 | 0.0004 | 12.1128 | 0.0005 | 102.095 | 0.001 | 107.863 | 0.001 | 98.02 | 0.001 | 1,017.49 | 0.07 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(di(n-propyl)dithiocarbamate) Nickel(II) | - C14 H28 N2 Ni S4 - | - C14 H28 N2 Ni S4 - | - C28 H56 N4 Ni2 S8 - | 2 | 1 | QB0053 | Jian, Fang-Fang; Wang, Zuo-Xiang; Fun, Hoong-Kun; Bai, Zhi-Ping; You, Xiao-Zeng; Razak, Ibrahim Abdul; Chinnakali, Kandasamy | A New Polymorph of Bis(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II) | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800044 | 10.1107/S0108270198099442 | 0.71073 | MoKα | 0.065 | 0.042 | null | null | null | 0.115 | null | null | null | null | null | 1.055 | null | null | has coordinates,has disorder,has Fobs | Jian, Fang-Fang; Wang, Zuo-Xiang; Fun, Hoong-Kun; Bai, Zhi-Ping; You, Xiao-Zeng; Razak, Ibrahim Abdul; Chinnakali, Kandasamy
A New Polymorph of Bis(di-<i>n</i>-propyldithiocarbamato-<i>S</i>,<i>S</i>')nickel(II)
Acta Crystallographica Section C
54(8)
(1998)
IUC9800044 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007562.cif $
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2,007,563 | 12.9452 | 0.0015 | 12.9452 | 0.0015 | 7.0747 | 0.0015 | 90 | null | 90 | null | 90 | null | 1,185.6 | 0.3 | 150 | 2 | 150 | 2 | null | null | null | null | 5 | I -4 | I -4 | 82 | Tetraphenylphosphonium tetrachloroaluminate | - C24 H20 Al Cl4 P - | - C24 H20 Al Cl4 P - | - C48 H40 Al2 Cl8 P2 - | 2 | 0.25 | QB0056 | Neil Burford; Daren J. LeBlanc; Alan J. Lough | Tetraphenylphosphonium Tetrachloroaluminate | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800040 | 10.1107/S0108270198099454 | 0.71073 | MoKα | 0.0727 | 0.0467 | null | null | null | 0.0999 | null | null | null | null | null | 0.993 | null | null | has coordinates,has Fobs | Neil Burford; Daren J. LeBlanc; Alan J. Lough
Tetraphenylphosphonium Tetrachloroaluminate
Acta Crystallographica Section C
54(8)
(1998)
IUC9800040 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007563.cif $
#-------------------------------------------------------------------... | |||||||||||
2,007,564 | 8.8978 | 0.0003 | 13.7057 | 0.0004 | 7.5532 | 0.0002 | 90 | null | 115.867 | 0.001 | 90 | null | 828.83 | 0.04 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | Feldspar | - Fe Ge3 K O8 - | - Fe Ge3 K O8 - | - Fe4 Ge12 K4 O32 - | 4 | 0.5 | QB0058 | Lévy, David; Barbier, Jacques | A Sanidine Feldspar Analogue: KFeGe~3~O~8~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800043 | 10.1107/S0108270198099508 | 0.71073 | MoKα | 0.053 | 0.036 | null | 0.077 | 0.071 | null | null | null | 1.138 | 1.175 | 1.175 | null | null | null | has coordinates | Lévy, David; Barbier, Jacques
A Sanidine Feldspar Analogue: KFeGe~3~O~8~
Acta Crystallographica Section C
54(8)
(1998)
IUC9800043 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007564.cif $
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2,007,565 | 7.8972 | 0.0011 | 11.571 | 0.003 | 12.429 | 0.003 | 111.582 | 0.006 | 96.749 | 0.003 | 91.662 | 0.003 | 1,045.6 | 0.4 | 180 | null | 180 | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C18 H22 Cl Co N4 O9 - | - C18 H22 Cl Co N4 O9 - | - C36 H44 Cl2 Co2 N8 O18 - | 2 | 1 | QB0059 | Caravan, P.; Orvig, Chris; Rettig, Steven J. | [<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ethylenediaminediacetato]cobalt(III) Perchlorate Monohydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | IUC9800037 | 10.1107/S0108270198099466 | 0.7107 | MoKα | 0.0902 | 0.037 | null | 0.0753 | null | 0.0753 | null | null | 1.115 | null | null | 1.115 | null | null | has coordinates | Caravan, P.; Orvig, Chris; Rettig, Steven J.
[<i>N</i>,<i>N</i>'-Bis(2-pyridylmethyl)ethylenediaminediacetato]cobalt(III) Perchlorate Monohydrate
Acta Crystallographica Section C
54(8)
(1998)
IUC9800037 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007565.cif $
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2,007,566 | 12.415 | 0.002 | 10.806 | 0.002 | 13.253 | 0.003 | 90 | null | 102.83 | 0.03 | 90 | null | 1,733.6 | 0.6 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 7-(4-methyl-1-piperazinyl)-6H-[1]benzopyrano[3,4-c]quinoline | - C21 H21 N3 O - | - C21 H21 N3 O - | - C84 H84 N12 O4 - | 4 | 1 | SK1085 | Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore | Characterization of Quinoline Derivatives. II. 7-(4-Methyl-1-piperazinyl)-6<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]quinoline | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1127 | 1130 | 10.1107/S0108270198003941 | 0.71073 | MoKα | 0.085 | 0.046 | null | 0.136 | null | 0.108 | null | null | 1.022 | null | null | 1.092 | null | null | has coordinates | Giorgi, Gianluca; Cappelli, Andrea; Anzini, Maurizio; Vomero, Salvatore
Characterization of Quinoline Derivatives. II. 7-(4-Methyl-1-piperazinyl)-6<i>H</i>-[1]benzopyrano[3,4-<i>c</i>]quinoline
Acta Crystallographica Section C
54(8)
(1998)
1127-1130 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/75/2007566.cif $
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2,229,983 | 10.28 | 0.002 | 11.777 | 0.002 | 12.276 | 0.003 | 113.66 | 0.03 | 95.19 | 0.03 | 96.58 | 0.03 | 1,337 | 0.6 | 113.2 | null | 113.2 | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2- oxidobezoato)tetracopper(II) dinitrate tetrahydrate | - C54 H50 Cu4 N10 O18 - | - C54 H50 Cu4 N10 O18 - | - C54 H50 Cu4 N10 O18 - | 1 | 0.5 | GK2359 | Feng, Miao; Gu, Chao; Mi, Huai-Feng; Hu, Tong-Liang | Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2-oxidobenzoato)tetracopper(II) dinitrate tetrahydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m520 | 10.1107/S1600536811011433 | 0.71073 | MoKα | 0.0596 | 0.0402 | null | null | 0.0776 | 0.0863 | null | null | null | null | null | 1.041 | null | null | has coordinates,has Fobs | Feng, Miao; Gu, Chao; Mi, Huai-Feng; Hu, Tong-Liang
Tetrakis(2,2'-bipyridine)di-μ~3~-hydroxido-bis(μ-2-oxidobenzoato)tetracopper(II) dinitrate tetrahydrate
Acta Crystallographica Section E
67(5)
(2011)
m520 | 301,805 | 2025-08-19 | 13:58:40 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 16:18:28 +0300 (Tue, 19 Aug 2025) $
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2,007,567 | 10.564 | 0.005 | 6.268 | 0.002 | 15.878 | 0.006 | 90 | null | 107.94 | 0.02 | 90 | null | 1,000.2 | 0.7 | 193 | 2 | 193 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C21 H23 N3 O7 - | - C21 H23 N3 O7 - | - C42 H46 N6 O14 - | 2 | 1 | SK1178 | Carl Epple; Christian Leumann; Helen Stoeckli-Evans | (1'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>S</i>)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-<i>N</i>^4^-benzoylcytosine | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1141 | 1143 | 10.1107/S010827019800184X | 0.71073 | MoKα | 0.0726 | 0.0473 | null | null | null | 0.1458 | null | null | null | null | null | 0.912 | null | null | has coordinates | Carl Epple; Christian Leumann; Helen Stoeckli-Evans
(1'<i>S</i>,5'<i>S</i>,6'<i>R</i>,8'<i>S</i>)-1-[(6'-Acetoxy-8'-hydroxy-2'-oxabicyclo[3.2.1]oct-5'-yl)oxymethyl]-<i>N</i>^4^-benzoylcytosine
Acta Crystallographica Section C
54(8)
(1998)
1141-1143 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,568 | 12.87 | 0.002 | 15.06 | 0.002 | 16.575 | 0.002 | 84.07 | 0.02 | 84.122 | 0.015 | 77.77 | 0.02 | 3,112.2 | 0.8 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 2,2,4,4,6,6-Hexaphenylcyclotrisiloxane | - C36 H30 O3 Si3 - | - C36 H30 O3 Si3 - | - C144 H120 O12 Si12 - | 4 | 2 | SK1181 | Ziemer, Burkhard; Backer, Michael; Auner, Norbert | A Triclinic Polymorph of Hexaphenylcyclotrisiloxane | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1111 | 1113 | 10.1107/S0108270198003205 | 0.71073 | MoKα | 0.051 | 0.036 | null | 0.097 | 0.091 | null | null | null | 0.932 | 1.035 | 1.035 | null | null | null | has coordinates | Ziemer, Burkhard; Backer, Michael; Auner, Norbert
A Triclinic Polymorph of Hexaphenylcyclotrisiloxane
Acta Crystallographica Section C
54(8)
(1998)
1111-1113 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,569 | 7.178 | 0.002 | 14.268 | 0.003 | 14.795 | 0.003 | 90 | null | 90 | null | 90 | null | 1,515.2 | 0.6 | 293 | null | 293 | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one | - C18 H22 O3 - | - C18 H22 O3 - | - C72 H88 O12 - | 4 | 1 | SX1029 | Slobodanka Stanković; Dušan Lazar; Vjera Pejanović; Julijana Petrović; Christian Courseille | <small>D</small>-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1158 | 1160 | 10.1107/S0108270197019161 | 1.54178 | CuKα | 0.0793 | 0.0428 | null | 0.1855 | 0.0889 | null | null | null | 1.133 | 1.224 | 1.224 | null | null | null | has coordinates | Slobodanka Stanković; Dušan Lazar; Vjera Pejanović; Julijana Petrović; Christian Courseille
<small>D</small>-Secoestrone Derivatives. IV. 3-Hydroxy-18-methyl-17-oxaestra-1,3,5(10)-trien-16-one
Acta Crystallographica Section C
54(8)
(1998)
1158-1160 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,570 | 14.59 | 0.001 | 8.857 | 0.001 | 16.674 | 0.001 | 90 | null | 90.22 | 0.01 | 90 | null | 2,154.7 | 0.3 | 299 | 2 | 299 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C27 H23 N3 - | - C27 H23 N3 - | - C108 H92 N12 - | 4 | 1 | SX1063 | de Silva, Saliya A.; Whitener, Mark A.; Baron, David E.; Zavaleta, Andres; Isidor, Edward V.; Allam, Osama | (9-Anthrylmethyl)bis(2-pyridylmethyl)amine | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1117 | 1119 | 10.1107/S0108270198002728 | 0.71073 | MoKα | 0.109 | 0.055 | null | 0.156 | 0.123 | null | null | null | 1.009 | 1.071 | 1.071 | null | null | null | has coordinates | de Silva, Saliya A.; Whitener, Mark A.; Baron, David E.; Zavaleta, Andres; Isidor, Edward V.; Allam, Osama
(9-Anthrylmethyl)bis(2-pyridylmethyl)amine
Acta Crystallographica Section C
54(8)
(1998)
1117-1119 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
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2,007,571 | 11.675 | 0.001 | 14.738 | 0.002 | 6.261 | 0.001 | 90 | null | 90 | null | 90 | null | 1,077.3 | 0.2 | 299 | 2 | 299 | 2 | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | 3-[[(2-Aminoethyl)imino]methyl]-4-hydroxybenzoic acid 0.28 hydrate | - C10 H12.56 N2 O3.28 - | - C10 H12 N2 O3.277 - | - C40 H48 N8 O13.108 - | 4 | 1 | SX1066 | Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres | 3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1119 | 1121 | 10.1107/S010827019800273X | 0.71073 | MoKα | 0.07 | 0.043 | null | 0.119 | 0.104 | null | null | null | 1.056 | 1.127 | 1.127 | null | null | null | has coordinates | Whitener, Mark A.; de Freitas, Cyrene Bolt; Zavaleta, Andres
3-[(2-Aminoethyl)iminomethyl]-4-hydroxybenzoic Acid 0.28-Hydrate
Acta Crystallographica Section C
54(8)
(1998)
1119-1121 | 194,049 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-03-07 17:34:50 +0200 (Tue, 07 Mar 2017) $
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2,229,982 | 7.6878 | 0.0005 | 11.8358 | 0.0007 | 18.5485 | 0.0009 | 85.305 | 0.004 | 84.778 | 0.005 | 80.692 | 0.005 | 1,654.74 | 0.17 | 296 | null | 296 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate | - C28 H30 Br4 Cu N4 O2 S2 - | - C28 H30 Br4 Cu N4 O2 S2 - | - C56 H60 Br8 Cu2 N8 O4 S4 - | 2 | 1 | GK2356 | Manjunatha, M. N.; Ziaulla, Mohamed; Sankolli, Ravish; Begum, Noor Shahina; Nagasundara, K. R. | Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate | Acta Crystallographica Section E | 2,011 | 67 | 5 | m578 | 10.1107/S1600536811012840 | 0.71073 | MoKα | 0.1158 | 0.0586 | null | null | 0.1043 | 0.1267 | null | null | null | null | null | 1 | null | null | has coordinates,has Fobs | Manjunatha, M. N.; Ziaulla, Mohamed; Sankolli, Ravish; Begum, Noor Shahina; Nagasundara, K. R.
Bis{2-[4-(methylsulfanyl)phenyl]-1<i>H</i>-benzimidazol-3-ium} tetrabromidocuprate(II) dihydrate
Acta Crystallographica Section E
67(5)
(2011)
m578 | 176,789 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,007,572 | 13.323 | 0.002 | 7.8005 | 0.0009 | 15.324 | 0.002 | 90 | null | 110.499 | 0.008 | 90 | null | 1,491.7 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | pptphe | N-tert-butyloxycarbonyl-N-benzylglycine | - C14 H19 N O4 - | - C14 H19 N O4 - | - C56 H76 N4 O16 - | 4 | 1 | SX1067 | Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa | <i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1164 | 1165 | 10.1107/S0108270198002741 | 1.5418 | CuKα | 0.095 | 0.068 | null | 0.288 | 0.183 | null | null | null | 1.167 | 1.176 | 1.176 | null | null | null | has coordinates | Doi, Mitsunobu; Kinoshita, Kazue; Asano, Akiko; Yoneda, Ryuji; Kurihara, Takushi; Ishida, Toshimasa
<i>N</i>-Benzyl-<i>N</i>-(<i>tert</i>-butyloxycarbonyl)glycine, an <i>N</i>-Substituted Glycine (Peptoid) Monomer
Acta Crystallographica Section C
54(8)
(1998)
1164-1165 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,007,573 | 3.8588 | 0.0001 | 3.8588 | 0.0001 | 29.6561 | 0.0007 | 90 | null | 90 | null | 90 | null | 441.589 | 0.019 | 300 | 2 | 300 | 2 | null | null | null | null | 4 | I 4/m m m | -I 4 2 | 139 | - K2 Nd2 O10 Ti3 - | - K2 Nd2 O10 Ti3 - | - K4 Nd4 O20 Ti6 - | 2 | 0.0625 | TA1188 | Amow, Gisele; Greedan, J. E. | The Layered Perovskite K~2~Nd~2~Ti~3~O~10~ | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1053 | 1055 | 10.1107/S0108270198002145 | 0.71073 | MoKα | 0.028 | 0.026 | null | 0.067 | 0.064 | null | null | null | 1.129 | 1.13 | 1.13 | null | null | null | has coordinates | Amow, Gisele; Greedan, J. E.
The Layered Perovskite K~2~Nd~2~Ti~3~O~10~
Acta Crystallographica Section C
54(8)
(1998)
1053-1055 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,007,574 | 6.9174 | 0.0004 | 7.4267 | 0.0004 | 12.0693 | 0.0007 | 90 | null | 98.206 | 0.003 | 90 | null | 613.69 | 0.06 | 158 | 2 | 158 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,4-bis(3-pyridinoxy)benzene | 1,4-bis(3-pyridinoxy)benzene | - C16 H12 N2 O2 - | - C16 H12 N2 O2 - | - C32 H24 N4 O4 - | 2 | 0.5 | TA1207 | McMorran, David A.; Steel, Peter J. | 1,4-Bis(3-pyridyloxy)benzene | Acta Crystallographica Section C | 1,998 | 54 | 8 | 1132 | 1133 | 10.1107/S0108270198003059 | 0.71073 | MoKα | null | 0.037 | null | null | null | 0.105 | null | null | null | null | null | 1.09 | null | null | has coordinates | McMorran, David A.; Steel, Peter J.
1,4-Bis(3-pyridyloxy)benzene
Acta Crystallographica Section C
54(8)
(1998)
1132-1133 | 301,791 | 2025-08-18 | 23:15:31 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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