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 |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,010,287 | 11.947 | 0.003 | 8.3 | 0.003 | 11.031 | 0.003 | 90 | null | 90.74 | 0.02 | 90 | null | 1,093.7 | 0.6 | 150 | 2 | 150 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | N-Methylthioamidotetrathiafulvalene | - C8 H7 N S5 - | - C8 H7 N S5 - | - C32 H28 N4 S20 - | 4 | 1 | HA1115 | Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Heaton, Julie N. | <i>N</i>-Methylthiocarbamoyltetrathiafulvalene at 150 K | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1956 | 1958 | 10.1107/S0108270194006827 | 0.71073 | MoKα | 0.0509 | 0.029 | null | 0.0993 | 0.0722 | null | null | null | 1.07 | 1.068 | 1.068 | null | null | null | has coordinates | Howard, Judith A.K.; Batsanov, Andrei S.; Bryce, Martin R.; Heaton, Julie N.
<i>N</i>-Methylthiocarbamoyltetrathiafulvalene at 150 K
Acta Crystallographica Section C
50(12)
(1994)
1956-1958 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,288 | 16.79 | 0.0011 | 12.6423 | 0.0008 | 11.1014 | 0.0006 | 90 | null | 94.31 | 0.06 | 90 | null | 2,349.8 | 0.3 | 293 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 5-(1-aminopyrrolylmethylene)-Meldrum's acid | 5-(1-aminopyrrolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione | - C11 H12 N2 O4 - | - C11 H12 N2 O4 - | - C88 H96 N16 O32 - | 8 | 2 | HA1120 | Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark | Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1935 | 1938 | 10.1107/S0108270194007213 | 1.54184 | CuKα | 0.1088 | 0.0563 | null | 0.1761 | 0.1475 | null | null | null | 1.079 | 1.192 | 1.192 | null | null | null | has coordinates | Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark
Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid
Acta Crystallographica Section C
50(12)
(1994)
1935-1938 | 201,957 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:48:21 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201957 $
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2,010,289 | 5.4407 | 0.001 | 10.341 | 0.002 | 10.714 | 0.002 | 107.351 | 0.007 | 96.814 | 0.011 | 100.9 | 0.015 | 555.04 | 0.19 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | 5-(1-aminopyrazolylmethylene)-Meldrum's acid | 5-(1-aminopyrazolylmethylene)-2,2-dimethyl-1,3-dioxane-4,6-dione | - C10 H11 N3 O4 - | - C10 H11 N3 O4 - | - C20 H22 N6 O8 - | 2 | 1 | HA1120 | Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark | Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1935 | 1938 | 10.1107/S0108270194007213 | 0.71073 | MoKα | 0.0409 | 0.0318 | null | 0.0787 | 0.0691 | null | null | null | 0.187 | 0.181 | 0.181 | null | null | null | has coordinates | Blake, Alexander J.; Gould, Robert O.; Irving, Iain; McNab, Hamish; Morrow, Mark
Two <i>N</i>-aminoazolylmethylene derivatives of Meldrum's acid
Acta Crystallographica Section C
50(12)
(1994)
1935-1938 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,290 | 19.263 | 0.01 | 3.886 | 0.003 | 5.902 | 0.003 | 90 | null | 90 | null | 90 | null | 441.8 | 0.5 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 3 | P n a 21 | P 2c -2n | 33 | α-pyrone | α-pyrone | - C5 H4 O2 - | - C5 H4 O2 - | - C20 H16 O8 - | 4 | 1 | HA1121 | Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon | α-Pyrone at 150 K | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1938 | 1940 | 10.1107/S0108270194007225 | 0.71073 | MoKα | 0.0544 | 0.047 | null | 0.2149 | 0.1535 | null | null | null | 1.242 | 1.251 | 1.251 | null | null | null | has coordinates | Blake, Alexander J.; Gould, Robert O.; Harris, Steven G.; McNab, Hamish; Parsons, Simon
α-Pyrone at 150 K
Acta Crystallographica Section C
50(12)
(1994)
1938-1940 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010290.cif $
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2,010,291 | 7.106 | 0.002 | 11.335 | 0.002 | 11.817 | 0.002 | 90 | null | 105.3 | 0.01 | 90 | null | 918.1 | 0.3 | 296 | null | 296 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 7-Hydroxy-4-methylcoumarin monohydrate | - C10 H10 O4 - | - C10 H10 O4 - | - C40 H40 O16 - | 4 | 1 | HH1047 | Jasinski, Jerry P.; Woudenberg, Richard C. | 7-Hydroxy-4-methylcoumarin monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1952 | 1953 | 10.1107/S0108270194005822 | 0.71069 | MoKα | null | 0.039 | null | null | 0.045 | null | null | null | null | 1.741 | 1.741 | null | null | null | has coordinates | Jasinski, Jerry P.; Woudenberg, Richard C.
7-Hydroxy-4-methylcoumarin monohydrate
Acta Crystallographica Section C
50(12)
(1994)
1952-1953 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010291.cif $
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2,010,292 | 7.157 | 0.001 | 9.566 | 0.001 | 6.92 | 0.001 | 95.13 | 0.01 | 110.11 | 0.01 | 71.78 | 0.01 | 422.49 | 0.1 | 296 | null | 296 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | 7-Amino-4-methylcoumarin | - C10 H9 N O2 - | - C10 H9 N O2 - | - C20 H18 N2 O4 - | 2 | 1 | HH1048 | Jasinski, Jerry P.; Woudenberg, Richard C. | 7-Amino-4-methylcoumarin | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1954 | 1956 | 10.1107/S0108270194005834 | 0.71069 | MoKα | null | 0.041 | null | null | 0.05 | null | null | null | null | 1.901 | 1.901 | null | null | null | has coordinates | Jasinski, Jerry P.; Woudenberg, Richard C.
7-Amino-4-methylcoumarin
Acta Crystallographica Section C
50(12)
(1994)
1954-1956 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010292.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,293 | 17.223 | 0.006 | 12.904 | 0.006 | 21.073 | 0.004 | 90 | null | 107.44 | 0.02 | 90 | null | 4,468 | 3 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C14 H10 O4 S2 - | - C16.6667 H15.3333 O4.66667 S2 - | - C200 H184 O56 S24 - | 12 | 1.5 | HH1069 | Kresinski, R. A.; Fackler Jr, J. P. | 2,2'-Dithiodisalicyclic acid tetrahydrofuran solvate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2039 | 2041 | 10.1107/S0108270193012223 | 0.71073 | MoKα | null | 0.05 | null | null | 0.0505 | null | null | null | null | 1.413 | 1.413 | null | null | null | has coordinates | Kresinski, R. A.; Fackler Jr, J. P.
2,2'-Dithiodisalicyclic acid tetrahydrofuran solvate
Acta Crystallographica Section C
50(12)
(1994)
2039-2041 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010293.cif $
#-------------------------------------------------------------------... | |||||||||||
2,010,294 | 11.519 | 0.001 | 15.6 | 0.001 | 32.258 | 0.002 | 90 | null | 90 | null | 90 | null | 5,796.6 | 0.7 | 290 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 10,13,19-trihdroxy-4,4,7,12a,16,21a-hexamethyl-1,4,5,5a,7a,12a,13,14,14a,15,18- dodecahydrodicyclohepta[e:e']cycloundeca[1.2-b;5,6-b]dipyran-9,18-dione | - C33 H40 O7 - | - C33 H38.5 O7 - | - C264 H308 O56 - | 8 | 2 | HH1073 | Gao, Q.; Mayerl, F. | Eupenifeldin | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2033 | 2036 | 10.1107/S0108270194002817 | 1.5418 | CuKα | null | 0.054 | null | null | 0.055 | null | null | null | null | 1.852 | 1.852 | null | null | null | has coordinates | Gao, Q.; Mayerl, F.
Eupenifeldin
Acta Crystallographica Section C
50(12)
(1994)
2033-2036 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010294.cif $
#-------------------------------------------------------------------... | ||||||||||
2,010,295 | 6.061 | 0.001 | 11.439 | 0.001 | 18.858 | 0.002 | 90 | null | 90 | null | 90 | null | 1,307.5 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (Z)-(-)-(R)-β-styryl p-tolyl sulfoxide | - C15 H14 O S - | - C15 H14 O S - | - C60 H56 O4 S4 - | 4 | 1 | HR1014 | Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude | (<i>Z</i>)-(–)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1980 | 1981 | 10.1107/S0108270194007092 | 1.54178 | CuKα | 0.0486 | 0.0432 | null | 0.1203 | 0.1164 | null | null | null | 1.048 | 1.083 | 1.083 | null | null | null | has coordinates | Declercq, Jean-Paul; Feneau-Dupont, Janine; Louis, Chantal; Hootelé, Claude
(<i>Z</i>)-(–)-(<i>R</i>)-β-Styryl <i>p</i>-tolyl sulfoxide
Acta Crystallographica Section C
50(12)
(1994)
1980-1981 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010295.cif $
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2,010,296 | 6.647 | 0.003 | 21.162 | 0.003 | 7.737 | 0.003 | 90 | null | 112.02 | 0.03 | 90 | null | 1,008.9 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis[diamminesilver(I)] Bis(biuretato-N^1^,N^5^)nickelate(II) Hexahydrate | - C4 H30 Ag2 N10 Ni O10 - | - C4 H30 Ag2 N10 Ni O10 - | - C8 H60 Ag4 N20 Ni2 O20 - | 2 | 0.5 | HR1030 | Pajunen, A.; Pajunen, S. | Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1884 | 1886 | 10.1107/S0108270194006505 | 0.71069 | MoKα | 0.0663 | 0.0499 | null | 0.1614 | 0.1361 | null | null | null | 1.089 | 1.132 | 1.132 | null | null | null | has coordinates | Pajunen, A.; Pajunen, S.
Diamminesilver(I) bis(biuretato-<i>N</i>^1^,<i>N</i>^5^)nickelate(II) hexahydrate
Acta Crystallographica Section C
50(12)
(1994)
1884-1886 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010296.cif $
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2,010,297 | 10.647 | 0.002 | 17.004 | 0.003 | 11.623 | 0.002 | 90 | null | 92.61 | 0.03 | 90 | null | 2,102.1 | 0.7 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C21 H21 Bi O9 - | - C21 H21 Bi O9 - | - C84 H84 Bi4 O36 - | 4 | 1 | HU1084 | Burgess, J.; Fawcett, J.; Parsons, S.A.; Russell, D.R. | Tris(ethylmaltolato)bismuth(III) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1911 | 1913 | 10.1107/S0108270194006463 | 0.71069 | MoKα | null | 0.0466 | null | null | 0.0469 | null | null | null | null | null | null | null | null | null | has coordinates | Burgess, J.; Fawcett, J.; Parsons, S.A.; Russell, D.R.
Tris(ethylmaltolato)bismuth(III)
Acta Crystallographica Section C
50(12)
(1994)
1911-1913 | 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/2/01/02/2010297.cif $
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2,010,298 | 15.9 | 0.004 | 8.456 | 0.002 | 9.725 | 0.003 | 90 | null | 121.19 | 0.02 | 90 | null | 1,118.5 | 0.6 | 295 | null | null | null | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | guanidinium pentafluoroantimonate | - C2 H12 F5 N6 Sb - | - C2 H12 F5 N6 Sb - | - C8 H48 F20 N24 Sb4 - | 4 | 0.5 | HU1085 | Małuszyńska, Hanna | Guanidinium pentafluoroantimonate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1909 | 1911 | 10.1107/S0108270194007936 | 0.71069 | MoKα | null | 0.0231 | null | null | 0.0314 | null | null | null | null | 1.91 | 1.91 | null | null | null | has coordinates | Małuszyńska, Hanna
Guanidinium pentafluoroantimonate
Acta Crystallographica Section C
50(12)
(1994)
1909-1911 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010298.cif $
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2,010,299 | 10.065 | 0.005 | 15.372 | 0.003 | 14.488 | 0.003 | 90 | null | 107.25 | 0.03 | 90 | null | 2,140.7 | 1.3 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H20 N2 O3 S2 - | - C24 H20 N2 O3 S2 - | - C96 H80 N8 O12 S8 - | 4 | 1 | HU1086 | Beddoes, R.L.; Kettle, J.G.; Joule, J.A. | A 3-phenylsulfinyl-1-phenylsulfonylindole | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1989 | 1992 | 10.1107/S0108270194003902 | 1.54178 | CuKα | null | 0.062 | null | null | 0.077 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | Beddoes, R.L.; Kettle, J.G.; Joule, J.A.
A 3-phenylsulfinyl-1-phenylsulfonylindole
Acta Crystallographica Section C
50(12)
(1994)
1989-1992 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/02/2010299.cif $
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2,010,300 | 8.7031 | 0.0008 | 7.3745 | 0.0003 | 9.1677 | 0.0004 | 90 | null | 97.694 | 0.005 | 90 | null | 583.1 | 0.06 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/m 1 | -P 2yb | 11 | - C13 H15 N O2 - | - C13 H21 N O2 - | - C26 H42 N2 O4 - | 2 | 0.5 | HU1092 | Garcia, J.G.; Enas, J.D.; Fronczek, F.R. | 2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2025 | 2027 | 10.1107/S0108270194005238 | 1.54184 | CuKα | null | 0.044 | null | null | 0.068 | null | null | null | null | 3.558 | 3.558 | null | null | null | has coordinates | Garcia, J.G.; Enas, J.D.; Fronczek, F.R.
2,2-Dimethyl-5-(dimethylamino)indan-1,3-dione
Acta Crystallographica Section C
50(12)
(1994)
2025-2027 | 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/2/01/03/2010300.cif $
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2,010,301 | 14.3 | 0.001 | 18.202 | 0.001 | 23.347 | 0.001 | 90 | null | 90 | null | 90 | null | 6,077 | 0.6 | 295 | 2 | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C37 H32 Cl N Pd - | - C37 H32 Cl N Pd - | - C296 H256 Cl8 N8 Pd8 - | 8 | 1 | HU1095 | Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E. | Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1872 | 1873 | 10.1107/S0108270194006475 | 0.71069 | MoKα | null | 0.052 | null | null | 0.041 | null | null | null | null | 3.62 | 3.62 | null | null | null | has coordinates | Tomita, K.; Caires, A.C.; Luccaneto, V.A.De.; Mauro, A.E.
Structure of a cyclopalladated complex, [PdCl(C~37~H~32~N)]
Acta Crystallographica Section C
50(12)
(1994)
1872-1873 | 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/2/01/03/2010301.cif $
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2,010,302 | 6.411 | 0.001 | 9.564 | 0.002 | 10.637 | 0.002 | 90 | null | 90 | null | 90 | null | 652.2 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P n m a | -P 2ac 2n | 62 | methyltin(IV)trichlorine | Methyltin(IV) Trichloride | - C H3 Cl3 Sn - | - C H3 Cl3 Sn - | - C4 H12 Cl12 Sn4 - | 4 | 0.5 | HU1116 | Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar | Trichloromethyltin(IV) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1904 | 1906 | 10.1107/S010827019400795X | 0.71073 | MoKα | 0.0477 | 0.0446 | null | 0.0862 | 0.086 | null | null | null | 4.139 | 4.308 | 4.308 | null | null | null | has coordinates | Frank, Walter; Reiss, Guido J.; Kuhn, Dietmar
Trichloromethyltin(IV)
Acta Crystallographica Section C
50(12)
(1994)
1904-1906 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010302.cif $
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2,010,303 | 6.193 | 0.002 | 10.609 | 0.002 | 15.492 | 0.004 | 90 | null | 86.42 | 0.02 | 90 | null | 1,015.9 | 0.5 | 291 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C11 H16 O2 - | - C11 H16 O2 - | - C44 H64 O8 - | 4 | 2 | HU1124 | Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J. | Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2085 | 2087 | 10.1107/S0108270194006074 | 0.70926 | MoKα | null | 0.0407 | null | null | 0.0429 | null | null | null | null | 0.241 | 0.241 | null | null | null | has coordinates | Cameron, T.S.; Jochem, K.; Morris, D.G.; Maguire, J.
Camphene-1-carboxylic acid: stereochemistry of the Nametkin shift
Acta Crystallographica Section C
50(12)
(1994)
2085-2087 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,304 | 5.972 | 0.002 | 23.103 | 0.011 | 14.4 | 0.005 | 90 | null | 102.91 | 0.03 | 90 | null | 1,936.6 | 1.3 | 293 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H10 Cl6 N4 O5 S2 Zn - | - C6 H10 Cl6 N4 O5 S2 Zn - | - C24 H40 Cl24 N16 O20 S8 Zn4 - | 4 | 1 | KA1068 | Potočňák, I.; Dunaj-Jurčo, M.; Petříček, V.; Černák, J. | Bis(thiourea-κ<i>S</i>)bis(trichloroacetato-κ<i>O</i>)zinc(II) monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1902 | 1904 | 10.1107/S0108270194004063 | 0.5609 | AgKα | null | 0.0572 | null | null | 0.0564 | null | null | null | null | 8.335 | 8.335 | null | null | null | has coordinates | Potočňák, I.; Dunaj-Jurčo, M.; Petříček, V.; Černák, J.
Bis(thiourea-κ<i>S</i>)bis(trichloroacetato-κ<i>O</i>)zinc(II) monohydrate
Acta Crystallographica Section C
50(12)
(1994)
1902-1904 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,305 | 7.144 | 0.002 | 11.328 | 0.003 | 32.658 | 0.009 | 90 | null | 90 | null | 90 | null | 2,642.9 | 1.3 | 291 | 1 | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C26 H30 O9 Pb S2 - | - C26 H24 O9 Pb S2 - | - C104 H96 O36 Pb4 S8 - | 4 | 1 | KA1085 | Huber, F.; Remer, J.; Schürmann, M. | Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1913 | 1915 | 10.1107/S0108270194007808 | 0.71073 | MoKα | null | 0.036 | null | null | 0.067 | null | null | null | null | 0.99 | 0.99 | null | null | null | has coordinates | Huber, F.; Remer, J.; Schürmann, M.
Diaquadiphenylbis(<i>p</i>-toluenesulfonato)lead‒water (1/1)
Acta Crystallographica Section C
50(12)
(1994)
1913-1915 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,306 | 7.373 | 0.002 | 7.546 | 0.003 | 10.579 | 0.003 | 90 | null | 90 | null | 90 | null | 588.6 | 0.3 | 299 | null | 299 | null | null | null | null | null | 4 | C m c m | -C 2c 2 | 63 | glycoluril | tetrahydroimidazo [4,5-d] imidazole-2,5 (1H, 3H)-dione | - C4 H6 N4 O2 - | - C4 H6 N4 O2 - | - C16 H24 N16 O8 - | 4 | 0.25 | KA1088 | Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B. | Glycoluril | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1988 | 1989 | 10.1107/S0108270194006955 | 0.71073 | MoKα | 0.0479 | 0.0405 | null | 0.1246 | 0.1163 | null | null | null | 1.081 | 1.114 | 1.114 | null | null | null | has coordinates | Xu, Shimin; Gantzel, Peter K.; Clark, Leigh B.
Glycoluril
Acta Crystallographica Section C
50(12)
(1994)
1988-1989 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,307 | 13.673 | 0.002 | 28.3 | 0.002 | 8.314 | 0.005 | 90 | null | 90 | null | 90 | null | 3,217 | 2 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | null | - C26 H33 Cl N4 O12 - | - C26 H33 Cl N4 O12 - | - C104 H132 Cl4 N16 O48 - | 4 | 1 | LI1072 | Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S. | Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1972 | 1974 | 10.1107/S0108270193013514 | 0.7107 | MoKα | null | 0.06 | null | null | 0.06 | null | null | null | null | 2.22 | 2.22 | null | null | null | has coordinates | Diánez, M. J.; Estrada, M. D.; López-Castro, A.; Pérez-Garrido, S.
Diethyl 6(<i>R</i>)-3-(4-chlorophenyl)-6-(tetra-<i>O</i>-acetyl-<small>D</small>-<i>arabino</i>-threitol-1-yl)-1,2,3,6-tetrahydro-1,2,3,4-tetrazine-1,2-dicarboxylate, C~26~H~33~ClN~4~O~12~
Acta Crystallographica Section C
50(12)
(1994)
1972-1974 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,308 | 12.118 | 0.003 | 13.723 | 0.003 | 11.807 | 0.002 | 101.64 | 0.02 | 119.22 | 0.04 | 87.42 | 0.01 | 1,675.1 | 0.9 | 298 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C24 H15 Br - | - C24 H15 Br - | - C96 H60 Br4 - | 4 | 2 | LI1080 | Conole, G.; O'Donovan, G.J.; Shepherd, M.K. | 5-Bromo-12-phenyltetracene | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1992 | 1995 | 10.1107/S0108270194002878 | 0.71069 | MoKα | null | 0.0564 | null | null | 0.0552 | null | null | null | null | null | null | null | null | null | has coordinates | Conole, G.; O'Donovan, G.J.; Shepherd, M.K.
5-Bromo-12-phenyltetracene
Acta Crystallographica Section C
50(12)
(1994)
1992-1995 | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,010,309 | 8.151 | 0.001 | 10.648 | 0.001 | 18.33 | 0.002 | 90 | null | 90 | null | 90 | null | 1,590.9 | 0.3 | 83 | null | null | null | null | null | null | null | 3 | P b c a | -P 2ac 2ab | null | - C9 H10 O3 - | - C9 H10 O3 - | - C72 H80 O24 - | 8 | 1 | LI1083 | Zukerman-Schpector, J. | 6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~ | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2076 | 2077 | 10.1107/S0108270194000697 | 0.71073 | MoKα | null | 0.038 | null | null | 0.039 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Zukerman-Schpector, J.
6-Methyl-2-oxabicyclo[4.3.0]non-4-en-3,7-dione, C~9~H~10~O~3~
Acta Crystallographica Section C
50(12)
(1994)
2076-2077 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,310 | 21.217 | 0.002 | 11.555 | 0.001 | 13.079 | 0.002 | 90 | null | 108.61 | 0.01 | 90 | null | 3,038.8 | 0.6 | 292 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C16 H16 N4 O S - | - C16 H16 N4 O S - | - C128 H128 N32 O8 S8 - | 8 | 1 | LI1084 | Zukerman-Schpector, J. | A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2077 | 2079 | 10.1107/S010827019400288X | 0.71073 | MoKα | null | 0.037 | null | null | 0.041 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Zukerman-Schpector, J.
A 5,6-dihydroimidazo[2,1-<i>b</i>]thiazole derivative
Acta Crystallographica Section C
50(12)
(1994)
2077-2079 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,311 | 11.007 | 0.002 | 7.726 | 0.001 | 12.194 | 0.002 | 90 | null | 115.71 | 0.02 | 90 | null | 934.3 | 0.3 | 292 | null | null | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | null | - C10 H8 N4 - | - C10 H8 N4 - | - C40 H32 N16 - | 4 | 1 | LI1085 | Zukerman-Schpector, J.; Barreiro, E.J.; Freitas, A.C.C. | Structures of pyrazole derivatives. III. 5-Amino-4-cyano-1-phenylpyrazole | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2095 | 2096 | 10.1107/S0108270193014556 | 0.71073 | MoKα | null | 0.0429 | null | null | 0.0434 | null | null | null | null | 1.33 | 1.33 | null | null | null | has coordinates | Zukerman-Schpector, J.; Barreiro, E.J.; Freitas, A.C.C.
Structures of pyrazole derivatives. III. 5-Amino-4-cyano-1-phenylpyrazole
Acta Crystallographica Section C
50(12)
(1994)
2095-2096 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,312 | 9.997 | 0.002 | 12.78 | 0.002 | 21.163 | 0.004 | 90 | null | 90 | null | 90 | null | 2,703.8 | 0.9 | 294 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C31 H41 N O4 - | - C31 H41 N O4 - | - C124 H164 N4 O16 - | 4 | 1 | LI1089 | Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K. | Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2089 | 2093 | 10.1107/S0108270194003008 | 0.71069 | MoKα | null | 0.048 | null | null | 0.051 | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Sagar, M.B.; Ravikumar, K.; Rao, A.V.R.; Reddy, M.M.; Singh, A.K.
Structural studies of intermediates in the synthesis of mifepristone (RU 486). I. An 11β-substituted steroid
Acta Crystallographica Section C
50(12)
(1994)
2089-2093 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,313 | 9.293 | 0.001 | 10.189 | 0.002 | 15.259 | 0.002 | 90 | null | 90 | null | 90 | null | 1,444.8 | 0.4 | 105 | 2 | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C16 H19 N O4 - | - C16 H19 N O4 - | - C64 H76 N4 O16 - | 4 | 1 | LI1093 | Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M. | (–)-Norcocaine | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2067 | 2069 | 10.1107/S0108270194003367 | 0.7093 | MoKα | null | 0.04 | null | null | 0.05 | null | null | null | null | 1.98 | 1.98 | null | null | null | has coordinates | Zhu, N.; Reynolds, M.; Klein, C.L.; Trudell, M.
(–)-Norcocaine
Acta Crystallographica Section C
50(12)
(1994)
2067-2069 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,314 | 13.183 | 0.005 | 7.831 | 0.002 | 9.213 | 0.004 | 90 | null | 95.11 | 0.02 | 90 | null | 947.3 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2-ethylthio-5-methyl-cyclododeca-6,7,8,9,10,11,12,13,14,15-decahydro [b]indole, | - C21 H31 N S - | - C21 H31 N S - | - C42 H62 N2 S2 - | 2 | 1 | LI1099 | Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte | 2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[<i>b</i>]indole: an unexpected product from the demethylation of an indole using Fujita's reagent | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1916 | 1919 | 10.1107/S0108270194003100 | 1.54056 | X-rayCuKα~1~ | 0.0601 | 0.0326 | null | 0.092 | 0.0716 | null | null | null | 0.949 | 1.013 | 1.013 | null | null | null | has coordinates | Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte
2-Ethylthio-5-methyl-6,7,8,9,10,11,12,13,14,15-decahydrocyclododeca[<i>b</i>]indole: an unexpected product from the demethylation of an indole using Fujita's reagent
Acta Crystallographica Section C
50(12)
(... | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,315 | 13.706 | 0.006 | 9.908 | 0.004 | 8.126 | 0.003 | 90 | null | 105.29 | 0.03 | 90 | null | 1,064.4 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 1,2-Dihydro-8-methyl-9H-carbazol-4(3H)-one | - C13 H13 N O - | - C13 H13 N O - | - C52 H52 N4 O4 - | 4 | 1 | LI1111 | Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte | 1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1919 | 1922 | 10.1107/S0108270194002611 | 1.54056 | CuK-α~1~ | 0.116 | 0.083 | null | 0.3721 | 0.2314 | null | null | null | 1.074 | 1.114 | 1.114 | null | null | null | has coordinates | Ianelli, Sandra; Nardelli, Mario; Belletti, Daniele; Caubère, Caterine; Caubère, Paul; Jamart-Grégoire, Brigitte
1,2-Dihydro-8-methyl-4(3<i>H</i>)-carbazolone prepared by a new arynic cyclization reaction
Acta Crystallographica Section C
50(12)
(1994)
1919-1922 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,316 | 32.649 | 0.008 | 6.1165 | 0.0007 | 29.739 | 0.003 | 90 | null | 124.36 | 0.01 | 90 | null | 4,902.5 | 1.5 | 293 | null | 293 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | trans-1-(4-Iodophenyl)-1-(4-(2'-pyrrolidinoethoxy)phenyl)-2-phenylbutene | - C28 H30 I N O - | - C28 H30 I N O - | - C224 H240 I8 N8 O8 - | 8 | 1 | LI1116 | Nunn, Christine M.; Parker, Esther J. | <i>trans</i>-1-(4-Iodophenyl)-2-phenyl-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butene, C~28~H~30~INO | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2043 | 2045 | 10.1107/S0108270194008309 | 0.71069 | MoKα | 0.032 | 0.028 | null | 0.042 | 0.041 | null | null | null | 1.58 | 1.63 | 1.63 | null | null | null | has coordinates | Nunn, Christine M.; Parker, Esther J.
<i>trans</i>-1-(4-Iodophenyl)-2-phenyl-1-{4-[2-(1-pyrrolidinyl)ethoxy]phenyl}-1-butene, C~28~H~30~INO
Acta Crystallographica Section C
50(12)
(1994)
2043-2045 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,317 | 16.895 | 0.003 | 10.108 | 0.004 | 14.15 | 0.004 | 90 | null | 102.6 | 0.02 | 90 | null | 2,358.3 | 1.2 | 296 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C30 H24 Br2 Cl2 Cu S24 - | - C30 H24 Br4 Cl4 Cu S24 - | - C60 H48 Br8 Cl8 Cu2 S48 - | 2 | 0.5 | MU1086 | Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P. | (BEDT-TFF)~3~[CuBr~2~Cl~2~] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1892 | 1894 | 10.1107/S0108270194005536 | 0.71069 | MoKα | null | 0.036 | null | null | 0.034 | null | null | null | null | 0.95 | 0.95 | null | null | null | has coordinates | Hebrard, S.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.
(BEDT-TFF)~3~[CuBr~2~Cl~2~]
Acta Crystallographica Section C
50(12)
(1994)
1892-1894 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,318 | 17.001 | 0.003 | 10.14 | 0.002 | 14.178 | 0.003 | 90 | null | 102.75 | 0.03 | 90 | null | 2,383.9 | 0.9 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | null | - C30 H24 Br4 Cu S24 - | - C30 H24 Br4 Cu S24 - | - C60 H48 Br8 Cu2 S48 - | 2 | 0.5 | MU1087 | Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P. | (BEDT-TTF)~3~[CuBr~4~] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1894 | 1896 | 10.1107/S0108270194005548 | 0.71069 | MoKα | null | 0.034 | null | null | 0.037 | null | null | null | null | 0.97 | 0.97 | null | null | null | has coordinates | Guionneau, P.; Bravic, G.; Gaultier, J.; Chasseau, D.; Kurmoo, M.; Kanazawa, D.; Day, P.
(BEDT-TTF)~3~[CuBr~4~]
Acta Crystallographica Section C
50(12)
(1994)
1894-1896 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,319 | 9.4528 | 0.0014 | 11.4874 | 0.0018 | 15.494 | 0.002 | 72.056 | 0.013 | 87.55 | 0.012 | 74.118 | 0.012 | 1,537.9 | 0.4 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C66 H60 Mo2 O8 P4 - | - C66 H60 Mo2 O8 P4 - | - C66 H60 Mo2 O8 P4 - | 1 | 0.5 | MU1095 | Ueng, C.-H.; Hwang, J.-L. | <i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1866 | 1868 | 10.1107/S0108270194005573 | 0.71073 | MoKα | null | 0.041 | null | null | 0.044 | null | null | null | null | 1.99 | 1.99 | null | null | null | has coordinates | Ueng, C.-H.; Hwang, J.-L.
<i>trans</i>-[Mo~2~(CO)~8~(μ-dppp~e~)~2~] [dppp~e~ = Ph~2~P(CH~2~)~5~PPh~2~]
Acta Crystallographica Section C
50(12)
(1994)
1866-1868 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,320 | 7.5371 | 0.0007 | 7.7348 | 0.0007 | 8.5907 | 0.0008 | 79.031 | 0.007 | 81.474 | 0.008 | 64.451 | 0.007 | 442.35 | 0.08 | 300 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C18 H14 Cr2 O6 - | - C18 H14 Cr2 O6 - | - C18 H14 Cr2 O6 - | 1 | 0.5 | MU1098 | Chen, W.; Goh, L.Y.; Tay, M.S. | Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1874 | 1875 | 10.1107/S0108270194005585 | 0.71073 | MoKα | null | 0.03 | null | null | 0.035 | null | null | null | null | 0.587 | 0.587 | null | null | null | has coordinates | Chen, W.; Goh, L.Y.; Tay, M.S.
Bis(tricarbonyl-η^5^-methylcyclopentadienylchromium)(<i>Cr</i>—<i>Cr</i>)
Acta Crystallographica Section C
50(12)
(1994)
1874-1875 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,321 | 9.532 | 0.004 | 12.696 | 0.005 | 13.116 | 0.004 | 86.13 | 0.03 | 84.09 | 0.03 | 80.51 | 0.03 | 1,555.2 | 1 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H38 Au2 P2 S4 - | - C24 H38 Au2 P2 S4 - | - C48 H76 Au4 P4 S8 - | 2 | 1 | MU1100 | Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P. | Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1898 | 1900 | 10.1107/S0108270194005780 | 0.71073 | MoKα | null | 0.035 | null | null | 0.0395 | null | null | null | null | 1.218 | 1.218 | null | null | null | has coordinates | Dávila, R.M.; Staples, R.J.; Fackler Jr, J.P.
Bis(triethylphosphine)gold(I) bis(1,2-benzenedithiolato-<i>S</i>,<i>S</i>')gold(III), [Au{P(C~2~H~5~)~3~}~2~][Au(S~2~C~6~H~4~)~2~]
Acta Crystallographica Section C
50(12)
(1994)
1898-1900 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,322 | 8.384 | 0.004 | 17.147 | 0.004 | 14.889 | 0.004 | 90 | null | 99.26 | 0.03 | 90 | null | 2,112.6 | 1.3 | 296 | 2 | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Bis[2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium] hexachlorodicuprate | - C34 H42 Cl6 Cu2 N8 O6 - | - C34 H42 Cl6 Cu2 N8 O6 - | - C68 H84 Cl12 Cu4 N16 O12 - | 2 | 0.5 | MU1126 | Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen | Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1886 | 1888 | 10.1107/S0108270194007572 | 0.71073 | MoKα | null | 0.056 | null | null | 0.056 | null | null | null | null | 0.656 | 0.656 | null | null | null | has coordinates | Kivikoski, Jussi; Fernández, Vicente; Howard, Judith A.K.; Hartung, Jürgen
Bis(2,4-dimorpholino-6-phenyl-1,3,5-oxadiazinium) hexachlorodicuprate
Acta Crystallographica Section C
50(12)
(1994)
1886-1888 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,323 | 10.65 | 0.001 | 13.895 | 0.001 | 13.892 | 0.001 | 90 | null | 99.55 | 0.01 | 90 | null | 2,027.3 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C15 H18 Co N3 O12 - | - C15 H18 Co N3 O12 - | - C60 H72 Co4 N12 O48 - | 4 | 1 | MU1135 | Sharma, Raj P.; Gupta, Vijay; Bhasin, Kuldip K.; Quirós, Miguel; Salas, Juan M. | Structural analogues of ferroverdin. Tris(methyl isonitrosoacetoacetato)cobalt(III) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1875 | 1878 | 10.1107/S0108270194007596 | 0.71073 | MoKα | null | 0.056 | null | null | 0.084 | null | null | null | null | 0.92 | 0.92 | null | null | null | has coordinates | Sharma, Raj P.; Gupta, Vijay; Bhasin, Kuldip K.; Quirós, Miguel; Salas, Juan M.
Structural analogues of ferroverdin. Tris(methyl isonitrosoacetoacetato)cobalt(III)
Acta Crystallographica Section C
50(12)
(1994)
1875-1878 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,010,324 | 5.508 | 0.001 | 10.828 | 0.002 | 14.363 | 0.003 | 90 | null | 90 | null | 90 | null | 856.6 | 0.3 | 153 | 2 | 153 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 1,6-Dimethyltetrahydroimidazo[4,5-d]imidazole-2,5(1H,6H)-dione monohydrate | - C6 H12 N4 O3 - | - C6 H12 N4 O3 - | - C24 H48 N16 O12 - | 4 | 1 | NA1080 | Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T. | 1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2056 | 2058 | 10.1107/S0108270194004555 | 0.71069 | MoKα | 0.0755 | 0.0563 | null | 0.1675 | 0.1503 | null | null | null | 1.08 | 1.087 | 1.087 | null | null | null | has coordinates | Dekaprilevich, Marina O.; Suvorova, Lyudmila I.; Khmelnitskii, Lenor I.; Struchkov, Yuri T.
1,6-Dimethyltetrahydroimidazo[4,5-<i>d</i>]-imidazole-2,5(1<i>H</i>,6<i>H</i>)-dione monohydrate
Acta Crystallographica Section C
50(12)
(1994)
2056-2058 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,325 | 5.154 | 0.004 | 14.253 | 0.005 | 10.4 | 0.005 | 90 | null | 99.61 | 0.06 | 90 | null | 753.3 | 0.7 | 293 | null | 293 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | trans-5-nitro-2-furanacrylic acid | - C7 H5 N O5 - | - C7 H5 N O5 - | - C28 H20 N4 O20 - | 4 | 1 | NA1083 | Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J. | <i>trans</i>-5-Nitro-2-furanacrylic acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1930 | 1931 | 10.1107/S0108270194007924 | 0.71069 | MoKα | null | 0.041 | null | null | 0.053 | null | null | null | null | 1.033 | 1.033 | null | null | null | has coordinates | Olszak, Tomasz A.; Peeters, Oswald M.; Blaton, Norbert M.; De Ranter, Camiel J.
<i>trans</i>-5-Nitro-2-furanacrylic acid
Acta Crystallographica Section C
50(12)
(1994)
1930-1931 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,326 | 29.464 | 0.007 | 13.861 | 0.004 | 8.515 | 0.002 | 90 | null | 90 | null | 90 | null | 3,477.5 | 1.5 | 293 | null | null | null | null | null | null | null | 4 | P c c n | -P 2ab 2ac | 56 | - C22 H20 N2 O - | - C22 H20 N2 O - | - C176 H160 N16 O8 - | 8 | 1 | NA1085 | Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo | Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2096 | 2098 | 10.1107/S0108270194004968 | 1.54178 | CuKα | null | 0.0564 | null | null | 0.0453 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Millini, Roberto; Piero, Gasto Del; Allegrini, Pietro; Nodari, Nereo
Chemical degradation of spiroindolinonaphthoxazines: 8,13,13-trimethyl-7a,8-dihydronaphtho[2,1-<i>b</i>]quinolino[3,2-<i>e</i>][1,4]oxazine, C~22~H~20~N~2~O
Acta Crystallographica Section C
50(12)
(1994)
2096-2098 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,327 | 12.925 | 0.003 | 14.16 | 0.004 | 23.97 | 0.006 | 90 | null | 90 | null | 90 | null | 4,386.9 | 1.9 | 298 | null | 298 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 30-dechloro-30-methoxy-25-O-methyl-N-methylnaphthomycin A | - C44 H59 N O12 - | - C44 H50 N O12 - | - C176 H200 N4 O48 - | 4 | 1 | NA1096 | Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter | 30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2060 | 2064 | 10.1107/S0108270194008140 | 0.71069 | MoKα | 0.1771 | 0.0931 | null | 0.0875 | 0.0828 | null | null | null | null | 1.63 | 1.63 | null | null | null | has coordinates | Cellai, Luciano; Cerrini, Silvio; Lamba, Doriano; Burla, Maria Cristina; Brufani, Mario; Fedeli, Walter; Keller-Schierlein, Walter
30-Dechloro-30-methoxy-25-<i>O</i>-methyl-<i>N</i>-methylnaphthomycin A
Acta Crystallographica Section C
50(12)
(1994)
2060-2064 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,328 | 14.663 | 0.001 | 10.109 | 0.001 | 14.837 | 0.001 | 80.76 | 0.01 | 81.71 | 0.01 | 80.71 | 0.01 | 2,126.4 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C44 H52 N4 O8 - | - C44 H52 N4 O8 - | - C88 H104 N8 O16 - | 2 | 1 | NA1104 | Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques | Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1982 | 1985 | 10.1107/S0108270194005421 | 1.5418 | CuKα | 0.1072 | 0.0691 | null | 0.2215 | 0.2002 | null | null | null | 1.006 | 1.255 | 1.255 | null | null | null | has coordinates | Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques
Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives
Acta Crystallographica Section C
50(12)
(1994)
1982-1985 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,329 | 18.075 | 0.003 | 17.946 | 0.002 | 9.658 | 0.002 | 90 | null | 90.04 | 0.01 | 90 | null | 3,132.8 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C66 H78 N6 O12 - | - C66 H78 N6 O12 - | - C132 H156 N12 O24 - | 2 | 0.5 | NA1104 | Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques | Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1982 | 1985 | 10.1107/S0108270194005421 | 1.5418 | CuKα | 0.0893 | 0.0564 | null | 0.1629 | 0.1512 | null | null | null | 1.035 | 1.245 | 1.245 | null | null | null | has coordinates | Tinant, Bernard; Declercq, Jean-Paul; Lepropre, Guy; Fastrez, Jacques
Tetraaza[3.3.3.3]- and hexaaza[3.3.3.3.3.3]paracyclophane derivatives
Acta Crystallographica Section C
50(12)
(1994)
1982-1985 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,330 | 9.119 | 0.002 | 11.039 | 0.002 | 17.971 | 0.001 | 90 | null | 101.07 | 0.01 | 90 | null | 1,775.4 | 0.5 | 23 | null | 23 | null | null | null | null | null | 6 | P 1 n 1 | P -2yac | 7 | cis-bis(triphenylphosphine)(maleonitriledithiolato)palladium | - C40 H30 N2 P2 Pd S2 - | - C40 H30 N2 P2 Pd S2 - | - C80 H60 N4 P4 Pd2 S4 - | 2 | 1 | NA1118 | Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi | A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)] | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1880 | 1882 | 10.1107/S0108270194008516 | 0.7107 | MolybdenumKα | null | 0.046 | null | null | 0.057 | null | null | null | null | 2.44 | 2.44 | null | null | null | has coordinates | Ebihara, Masahiro; Tsuchiya, Masaki; Kawamura, Takashi
A distorted planar palladium complex with maleonitriledithiolato and triphenylphosphine ligands, [Pd(PPh~3~)~2~(mnt)]
Acta Crystallographica Section C
50(12)
(1994)
1880-1882 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,331 | 6.549 | 0.002 | 6.918 | 0.003 | 8.04 | 0.004 | 83.22 | 0.04 | 68.64 | 0.04 | 68.7 | 0.03 | 316 | 0.3 | 294 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C2 H8 Cl2 N2 Pt - | - C2 H8 Cl2 N2 Pt - | - C4 H16 Cl4 N4 Pt2 - | 2 | 1 | OH1064 | Ellis, L.T.; Hambley, T.W. | Dichloro(ethylenediamine)platinum(II) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1888 | 1889 | 10.1107/S0108270194006840 | 0.71069 | MoKα | null | 0.02 | null | null | 0.024 | null | null | null | null | 1.03 | 1.03 | null | null | null | has coordinates | Ellis, L.T.; Hambley, T.W.
Dichloro(ethylenediamine)platinum(II)
Acta Crystallographica Section C
50(12)
(1994)
1888-1889 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
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2,010,332 | 6.443 | 0.002 | 7.476 | 0.002 | 8.058 | 0.003 | 72.27 | 0.02 | 80.82 | 0.03 | 76.23 | 0.02 | 357.5 | 0.2 | 294 | null | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C5 H8 N2 O5 - | - C5 H8 N2 O5 - | - C10 H16 N4 O10 - | 2 | 1 | OH1065 | Zvargulis, Evan S.; Hambley, Trevor W. | Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2058 | 2060 | 10.1107/S0108270194006852 | 0.71069 | MoKα | null | 0.03 | null | null | 0.043 | null | null | null | null | 4.88 | 4.88 | null | null | null | has coordinates | Zvargulis, Evan S.; Hambley, Trevor W.
Redetermination of the structure of <i>N</i>-carbamyl-<small>D</small>,<small>L</small>-aspartic acid
Acta Crystallographica Section C
50(12)
(1994)
2058-2060 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,333 | 7.85 | 0.003 | 23.17 | 0.01 | 7.212 | 0.003 | 90 | null | 110.64 | 0.03 | 90 | null | 1,227.6 | 0.9 | 273 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C13 H14 N4 O - | - C13 H14 N4 O - | - C52 H56 N16 O4 - | 4 | 1 | PA1089 | Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G. | <i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1960 | 1962 | 10.1107/S0108270194001514 | 0.7107 | MoKᾱ | null | 0.056 | null | null | 0.054 | null | null | null | null | 1.445 | 1.445 | null | null | null | has coordinates | Rodier, N.; Rideau, O.; Robert,J.-M.; Le Baut, G.
<i>N</i>-(4,6-Diméthylpyrid-2-yl)-5-méthyl-pyrazine-2-carboxamide
Acta Crystallographica Section C
50(12)
(1994)
1960-1962 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,334 | 10.041 | 0.002 | 17.962 | 0.002 | 7.259 | 0.003 | 90 | null | 90 | null | 90 | null | 1,309.2 | 0.6 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P c a 21 | null | - C12 H22 S2 - | - C12 H22 S2 - | - C48 H88 S8 - | 4 | 1 | PA1102 | Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini | Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2098 | 2100 | 10.1107/S0108270194005950 | 1.5418 | CuKα | null | 0.066 | null | null | 0.068 | null | null | null | null | 0.731 | 0.731 | null | null | null | has coordinates | Gabriele Bocelli; Andrea Cantoni; Pietro Cozzini
Stereochemistry of rings. XVIII. 8-<i>tert</i>-Butyl-1,4-dithiaspiro[4.5]decane
Acta Crystallographica Section C
50(12)
(1994)
2098-2100 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,335 | 11.519 | 0.003 | 13.456 | 0.003 | 5.974 | 0.001 | 90 | null | 90 | null | 90 | null | 926 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | C m c m | -C 2c 2 | 63 | - C Ba3 F7 O3 Sc - | - C Ba3 F7 O3 Sc - | - C4 Ba12 F28 O12 Sc4 - | 4 | 0.25 | N. Mercier; Marc Leblanc | A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~ | Acta Crystallographica Section C | 1,994 | 50 | 1862 | 1864 | null | null | 0.0248 | null | null | 0.0659 | null | null | null | null | null | null | null | null | null | has coordinates | N. Mercier; Marc Leblanc
A Scandium Fluorocarbonate, Ba~3~Sc(CO~3)~F~7~
Acta Crystallographica Section C
50
(1994)
1862-1864 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
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2,010,336 | 6.596 | 0.004 | 10.774 | 0.004 | 14.09 | 0.01 | 90 | null | 90 | null | 90 | null | 1,001.3 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C Eu F3 Na2 O3 - | - C Eu F3 Na2 O3 - | - C8 Eu8 F24 Na16 O24 - | 8 | 1 | Mercier, Nicolas; Leblanc, Marc | A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~ | Acta Crystallographica, Section C: Crystal Structure Communications | 1,994 | 50 | 12 | 1864 | 1865 | 10.1107/s010827019400733x | null | null | 0.0177 | null | null | 0.0451 | null | null | null | null | null | null | null | null | null | has coordinates | Mercier, Nicolas; Leblanc, Marc
A new rare earth fluorocarbonate, Na~2~Eu(CO~3~)F~3~
Acta Crystallographica, Section C: Crystal Structure Communications
50(12)
(1994)
1864-1865 | 277,834 | 2022-09-14 | 16:39:43 | #------------------------------------------------------------------------------
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2,010,337 | 12.849 | 0.003 | 12.675 | 0.003 | 15.076 | 0.003 | 90 | null | 103.95 | 0.05 | 90 | null | 2,382.9 | 1.1 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C28 H21 N O10 - | - C28 H21 N O10 - | - C112 H84 N4 O40 - | 4 | 1 | SE1045 | Paulus, E.F.; Dornberger, K.; Werner, W.; Fenske, D. | Madurahydroxylactone | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2064 | 2067 | 10.1107/S0108270194003185 | 0.71073 | MoKα | null | 0.149 | null | null | 0.12 | null | null | null | null | 2.22 | 2.22 | null | null | null | has coordinates | Paulus, E.F.; Dornberger, K.; Werner, W.; Fenske, D.
Madurahydroxylactone
Acta Crystallographica Section C
50(12)
(1994)
2064-2067 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,338 | 7.1189 | 0.0004 | 25.685 | 0.003 | 11.1476 | 0.0009 | 90 | null | 98.641 | 0.006 | 90 | null | 2,015.2 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 8-Chloro-3,6-dioxaoctyl-(E,E)-3-(3,5-dichloro-2-hydroxyphenylazo)-2-chloro- 2-but-enoat | - C16 H18 Cl4 N2 O5 - | - C16 H18 Cl4 N2 O5 - | - C64 H72 Cl16 N8 O20 - | 4 | 1 | SE1046 | Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus | 8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2072 | 2074 | 10.1107/S0108270194000879 | 1.54184 | CuKα | null | 0.045 | null | null | 0.071 | null | null | null | null | 2.459 | 2.459 | null | null | null | has coordinates | Ramm, Matthias; Baumann, Hendrik; Kirschke, Klaus
8-Chloro-3,6-dioxaoctyl (<i>E</i>,<i>E</i>)-2-chloro-3-(3,5-dichloro-2-hydroxyphenylazo)-2-butenoate
Acta Crystallographica Section C
50(12)
(1994)
2072-2074 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,339 | 13.58 | 0.002 | 6.437 | 0.001 | 5.895 | 0.001 | 90 | null | 92.12 | 0.01 | 90 | null | 514.96 | 0.14 | 293 | null | null | null | null | null | null | null | 3 | C 1 2/m 1 | -C 2y | 12 | - C12 H12 O4 - | - C12 H12 O4 - | - C24 H24 O8 - | 2 | 0.25 | SE1048 | Irngartinger, H.; Strack, S. | Dimethyl cubane-1,4-dicarboxylate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2017 | 2019 | 10.1107/S0108270194004634 | 0.71073 | MoKα | null | 0.049 | null | null | 0.059 | null | null | null | null | 2.79 | 2.79 | null | null | null | has coordinates | Irngartinger, H.; Strack, S.
Dimethyl cubane-1,4-dicarboxylate
Acta Crystallographica Section C
50(12)
(1994)
2017-2019 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
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2,010,340 | 6.592 | 0.001 | 9.831 | 0.001 | 18.053 | 0.001 | 90 | null | 97 | 0.01 | 90 | null | 1,161.2 | 0.2 | 293 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C20 H24 Cl3 N3 O6 - | - C20 H24 Cl3 N3 O6 - | - C40 H48 Cl6 N6 O12 - | 2 | 1 | SE1052 | Bolte, M. | A deoxyuridine derivative | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2045 | 2047 | 10.1107/S0108270194005470 | 1.5418 | CuKα | null | 0.069 | null | null | 0.081 | null | null | null | null | 2.29 | 2.29 | null | null | null | has coordinates | Bolte, M.
A deoxyuridine derivative
Acta Crystallographica Section C
50(12)
(1994)
2045-2047 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,341 | 9.936 | 0.001 | 9.936 | 0.001 | 52.27 | 0.01 | 90 | null | 90 | null | 120 | null | 4,469 | 1.1 | 293 | 1 | 293 | 1 | null | null | null | null | 4 | P 65 | P 65 | 170 | (6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-tetrahydrocyclobuta[1,2-c:4,3-c'] bis[1]benzothiopyran-6,7-dione | - C18 H12 O2 S2 - | - C18 H12 O2 S2 - | - C216 H144 O24 S24 - | 12 | 2 | SE1053 | Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul | (6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1922 | 1924 | 10.1107/S0108270194005482 | 1.54178 | CuKα | 0.0784 | 0.0663 | null | 0.21 | 0.1817 | null | null | null | 1.045 | 0.996 | 0.996 | null | null | null | has coordinates | Kopf, Jürgen; Maelger, Harald; Thiemann, Carolin; Margaretha, Paul
(6aα,6bβ,12bβ,12cα)-6a,6b,12b,12c-Tetrahydrocyclobuta[1,2-<i>c</i>:4,3-<i>c</i>']di[1]benzothiopyran-6,7-dione
Acta Crystallographica Section C
50(12)
(1994)
1922-1924 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,342 | 9.208 | 0.001 | 5.391 | 0.001 | 14.343 | 0.002 | 90 | null | 106.8 | 0.01 | 90 | null | 681.6 | 0.18 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H8 N4 S2 - | - C14 H8 N4 S2 - | - C28 H16 N8 S4 - | 2 | 0.5 | SH1091 | Mizuguchi, J.; Zambounis, J.S.; Rihs, G. | 2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane | Acta Crystallographica Section C | 1,994 | 50 | 12 | 2004 | 2007 | 10.1107/S0108270194002635 | 0.70926 | MoKα | null | 0.03 | null | null | 0.033 | null | null | null | null | 1.12 | 1.12 | null | null | null | has coordinates | Mizuguchi, J.; Zambounis, J.S.; Rihs, G.
2,5-Bis(methylthio)-7,7',8,8'-tetracyanoquinodimethane
Acta Crystallographica Section C
50(12)
(1994)
2004-2007 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010342.cif $
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2,010,343 | 8.616 | 0.003 | 10.435 | 0.002 | 16.162 | 0.004 | 90 | null | 90.63 | 0.03 | 90 | null | 1,453 | 0.7 | 245 | 1 | 245 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 6-formyl-1,1,2,4,4,7-hexamethyltetralin | - C17 H24 O - | - C17 H24 O - | - C68 H96 O4 - | 4 | 1 | SH1094 | De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk | Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1962 | 1966 | 10.1107/S0108270194002647 | 1.5418 | CuKα | 0.064 | 0.064 | null | 0.084 | 0.084 | null | null | null | 0.221 | 0.221 | 0.221 | null | null | null | warnings | has coordinates,has disorder | De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk
Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)
Acta Crystallographica Section C
50(12)
(1994)
1962-1966 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,344 | 10.366 | 0.001 | 8.715 | 0.001 | 15.984 | 0.002 | 90 | null | 95.63 | 0.009 | 90 | null | 1,437 | 0.3 | 252 | null | 252 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 6-formyl-1,1,4,4,5,7-hexamethyltetralin | - C17 H24 O - | - C17 H24 O - | - C68 H96 O4 - | 4 | 1 | SH1094 | De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk | Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2) | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1962 | 1966 | 10.1107/S0108270194002647 | 1.5418 | CuKα | 0.099 | 0.099 | null | 0.117 | 0.117 | null | null | null | 0.235 | 0.235 | 0.235 | null | null | null | has coordinates,has disorder | De Ridder, Dirk J. A.; Fraanje, Jan; Goubitz, Kees; Schenk, Henk
Crystal studies of musk compounds. XIII. Molecular structures of 6-formyl-1,1,2,4,4,7-hexamethyltetralin (I) and 6-formyl-1,1,4,4,5,7-hexamethyltetralin (2)
Acta Crystallographica Section C
50(12)
(1994)
1962-1966 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,345 | 15.224 | 0.002 | 6.068 | 0.001 | 14.968 | 0.001 | 90 | null | 90.87 | 0.01 | 90 | null | 1,382.6 | 0.3 | 293 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H15 N O4 S - | - C14 H15 N O4 S - | - C56 H60 N4 O16 S4 - | 4 | 1 | SH1096 | Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D. | 2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1986 | 1988 | 10.1107/S0108270194003574 | 0.71073 | MoKα | null | 0.039 | null | null | 0.046 | null | null | null | null | 4.63 | 4.63 | null | null | null | has coordinates | Heinemann, F.W.; Hartung, H.; Cleve, D.; Rudorf, W.-D.
2-[Bis(methoxycarbonyl)methylene]-3-phenyl-1,3-thiazolidine
Acta Crystallographica Section C
50(12)
(1994)
1986-1988 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,346 | 7.717 | 0.006 | 7.371 | 0.011 | 14.901 | 0.018 | 90 | null | 94.38 | 0.1 | 90 | null | 845.1 | 1.8 | 153 | 2 | 153 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | (S)-N-trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1H-3-benzazepine | - C16 H18 Cl3 N O3 - | - C16 H18 Cl3 N O3 - | - C32 H36 Cl6 N2 O6 - | 2 | 1 | SH1101 | Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F. | (+)-<i>N</i>-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepine at 153 K | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1978 | 1980 | 10.1107/S010827019400538X | 0.71073 | MoKα | 0.0339 | 0.0328 | null | 0.0858 | 0.0841 | null | null | null | 1.078 | 1.079 | 1.079 | null | null | null | has coordinates | Pohl, Ehmke; Herbst-Irmer, Regine; Schimpf, Ralph; Tietze, Lutz F.
(+)-<i>N</i>-Trichloroacetyl-7,8-dimethoxy-1-vinyl-2,3,4,5-tetrahydro-1<i>H</i>-3-benzazepine at 153 K
Acta Crystallographica Section C
50(12)
(1994)
1978-1980 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,347 | 9.7224 | 0.0016 | 11.335 | 0.003 | 18.0256 | 0.0015 | 90 | null | 102.081 | 0.011 | 90 | null | 1,942.5 | 0.6 | 290 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | null | - C18 H15 F6 Fe P S2 - | - C18 H15 F6 Fe P S2 - | - C72 H60 F24 Fe4 P4 S8 - | 4 | 1 | ST1085 | Christie, Sean; Piórko, Adam; Zaworotko, Michael J. | (η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate | Acta Crystallographica Section C | 1,994 | 50 | 12 | 1868 | 1870 | 10.1107/S0108270194008383 | 0.7093 | MoKα | null | 0.058 | null | null | 0.062 | null | null | null | null | 4.67 | 4.67 | null | null | null | has coordinates | Christie, Sean; Piórko, Adam; Zaworotko, Michael J.
(η^5^-Cyclopentadienyl)[(1,2,3,4,4a,10a-η^6^)-2-methylthianthrene]iron(II) hexafluorophosphate
Acta Crystallographica Section C
50(12)
(1994)
1868-1870 | 190,975 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-26 13:41:26 +0200 (Thu, 26 Jan 2017) $
#$Revision: 190975 $
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2,010,348 | 4.515 | 0.001 | 9.503 | 0.003 | 11.618 | 0.002 | 90 | null | 90.33 | 0.01 | 90 | null | 498.5 | 0.2 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | Lead diselenite | - O5 Pb Se2 - | - O5 Pb Se2 - | - O20 Pb4 Se8 - | 4 | 1 | Koskenlinna, Markus; Valkonen, Jussi | Lead Diselenite | Acta Crystallographica Section C | 1,995 | 51 | 01 | 03 | null | null | 0.034 | null | null | 0.043 | null | null | null | null | null | null | null | null | null | has coordinates | Koskenlinna, Markus; Valkonen, Jussi
Lead Diselenite
Acta Crystallographica Section C
51
(1995)
01-03 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,349 | 18.0105 | 0.0012 | 4.2413 | 0.0003 | 30.66 | 0.002 | 90 | null | 93.297 | 0.005 | 90 | null | 2,338.2 | 0.3 | 150 | null | 150 | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C21 H42 S3 - | - C21 H42 S3 - | - C84 H168 S12 - | 4 | 2 | Veldman, Nora; Spek, Anthony L.; Edema, Jilles J.H.; Kellogg, Richard M. | 2,4,6-Trihexyl-1,3,5-trithiane | Acta Crystallographica Section C | 1,995 | 51 | 88 | 91 | null | null | 0.0694 | null | null | 0.1286 | null | null | null | null | null | null | null | 2,002,902 | null | has coordinates | Veldman, Nora; Spek, Anthony L.; Edema, Jilles J.H.; Kellogg, Richard M.
2,4,6-Trihexyl-1,3,5-trithiane
Acta Crystallographica Section C
51
(1995)
88-91 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,350 | 13.044 | 0.003 | 6.847 | 0.002 | 9.465 | 0.004 | 90 | null | 98.46 | 0.03 | 90 | null | 836.1 | 0.5 | 294 | 2 | 294 | 2 | null | null | null | null | 4 | P 1 2/c 1 | -P 2yc | 13 | - C7 H13 N O2 - | - C7 H13 N O2 - | - C28 H52 N4 O8 - | 4 | 1 | Larsen, Ingrid Kjøller; Trickey, Peter | Cyclohexanecarbohydroxamic Acid | Acta Crystallographica Section C | 1,995 | 51 | 125 | 127 | null | null | 0.0546 | null | null | 0.1446 | null | null | null | null | null | null | null | 2,002,903 | null | has coordinates | Larsen, Ingrid Kjøller; Trickey, Peter
Cyclohexanecarbohydroxamic Acid
Acta Crystallographica Section C
51
(1995)
125-127 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,351 | 8.677 | 0.002 | 9.438 | 0.002 | 13.504 | 0.003 | 90 | null | 96.45 | 0.03 | 90 | null | 1,098.9 | 0.4 | 130 | 2 | 183 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C10 H10 Br Cl O2 - | - C10 H10 Br Cl O2 - | - C40 H40 Br4 Cl4 O8 - | 4 | 2 | Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G. | Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate | Acta Crystallographica Section C | 1,995 | 51 | 134 | 135 | null | null | 0.0401 | null | null | 0.1064 | null | null | null | null | null | null | null | null | null | has coordinates | Shaw, Joanne P.; Tan, Eng Wui; Blackman, Allan G.
Homochiral Methyl (2R,3S)-2-Chloro-3-bromo-3-phenylpropanoate
Acta Crystallographica Section C
51
(1995)
134-135 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,352 | 15.783 | 0.002 | 5.458 | 0.001 | 9.586 | 0.001 | 90 | null | 104.97 | 0.01 | 90 | null | 797.7 | 0.2 | 173 | 1 | 173 | 1 | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | - C7 H12 O4 - | - C7 H12 O4 - | - C28 H48 O16 - | 4 | 1 | Kopf, Jürgen; Schulz, Stefan | (1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone | Acta Crystallographica Section C | 1,995 | 51 | 84 | 86 | null | null | 0.0831 | null | null | 0.2126 | null | null | null | null | null | null | null | 2,002,905 | null | has coordinates | Kopf, Jürgen; Schulz, Stefan
(1'R,2S,3R)-2-Hydroxy-2-(1-hydroxyethyl)-3-methyl-γ-butyrolactone
Acta Crystallographica Section C
51
(1995)
84-86 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,353 | 16.866 | 0.002 | 14.9176 | 0.0014 | 19.273 | 0.003 | 90 | null | 98.022 | 0.012 | 90 | null | 4,801.6 | 1.1 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | Tris(triphenyltin)borate | Tris(triphenyltin)borate, B(OSnPh~3~)~3~ | - C54 H45 B O3 Sn3 - | - C54 H45 B O3 Sn3 - | - C216 H180 B4 O12 Sn12 - | 4 | 1 | AB1217 | Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T. | Tris(triphenyltin)borate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 67 | 70 | 10.1107/S0108270194010012 | 0.71069 | MolybdenumKα | 0.067 | 0.03 | null | 0.047 | 0.039 | null | null | null | null | 0.95 | 0.95 | null | null | null | has coordinates | Ferguson, George; Spalding, Trevor R.; O'Dowd, Anna T.
Tris(triphenyltin)borate
Acta Crystallographica Section C
51(1)
(1995)
67-70 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,354 | 7.804 | 0.001 | 11.754 | 0.002 | 14.443 | 0.002 | 90 | null | 103.57 | 0.02 | 90 | null | 1,287.8 | 0.3 | 300 | null | null | null | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | - C30 H50 O - | - C30 H50 O - | - C60 H100 O2 - | 2 | 1 | AL1034 | Dey, I.; Banerjee, A. | 7β,8β-Epoxyfriedelane | Acta Crystallographica Section C | 1,995 | 51 | 1 | 119 | 121 | 10.1107/S0108270194003082 | 1.54182 | CuKα | null | 0.064 | null | null | 0.062 | null | null | null | null | 1.855 | 1.855 | null | null | null | has coordinates | Dey, I.; Banerjee, A.
7β,8β-Epoxyfriedelane
Acta Crystallographica Section C
51(1)
(1995)
119-121 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,355 | 7.54 | 0.003 | 16.761 | 0.006 | 8.65 | 0.003 | 90 | null | 99.56 | 0.02 | 90 | null | 1,078 | 0.7 | 293 | null | null | null | null | null | null | null | 6 | P 1 a 1 | P -2ya | null | - C10 H20 Mo2 N2 Na2 O16 - | - C10 H19 Mo2 N2 Na2 O16 - | - C20 H38 Mo4 N4 Na4 O32 - | 2 | 1 | AL1041 | Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M. | Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 32 | 34 | 10.1107/S0108270193012168 | 0.71069 | MoKα | null | 0.043 | null | null | 0.051 | null | null | null | null | 1.1 | 1.1 | null | null | null | has coordinates | Mukherjee, K.; Roychowdhury, P.; Roy, K.; Mukherjee, D.; Kusunoki, M.
Disodium μ-(Ethylenediaminetetraacetato-<i>N</i>,<i>O</i>,<i>O</i>':<i>N</i>',<i>O</i>'',<i>O</i>''')-di-μ-oxo-bis[oxomolybdate(V)](<i>Mo</i>—<i>Mo</i>) Tetrahydrate
Acta Crystallographica Section C
51(1)
(1995)
32-34 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,356 | 8.875 | 0.002 | 9.826 | 0.002 | 26.468 | 0.005 | 90 | null | 90 | null | 90 | null | 2,308.2 | 0.8 | 293 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C26 H28 Br O2 P - | - C26 H28 Br O2 P - | - C104 H112 Br4 O8 P4 - | 4 | 1 | BK1011 | Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V. | [1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br | Acta Crystallographica Section C | 1,995 | 51 | 1 | 105 | 107 | 10.1107/S0108270194005433 | 0.71073 | MoKα | null | 0.032 | null | null | 0.031 | null | null | null | null | 1.006 | 1.006 | null | null | null | has coordinates | Boys, D.; Araya-Maturana, R.; Gonzalez, O.; Manriquez, V.
[1-(Ethoxycarbonyl)-1-cyclopentyl]triphenylphosphonium Bromide, [(C~6~H~5~)~3~PC(C~4~H~8~)(COOC~2~H~5~)]Br
Acta Crystallographica Section C
51(1)
(1995)
105-107 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,357 | 11.0301 | 0.0014 | 13.7114 | 0.0008 | 11.6012 | 0.0012 | 90 | null | 108.603 | 0.006 | 90 | null | 1,662.9 | 0.3 | 290 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C17 H13 F6 Fe O2 P - | - C17 H13 F6 Fe O2 P - | - C68 H52 F24 Fe4 O8 P4 - | 4 | 1 | BK1012 | Piorko, A.; Christie, S.; Zaworotko, M.J. | Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin | Acta Crystallographica Section C | 1,995 | 51 | 1 | 26 | 29 | 10.1107/S010827019400363X | 0.7107 | MoKα | null | 0.061 | null | null | 0.061 | null | null | null | null | 5.38 | 5.38 | null | null | null | has coordinates | Piorko, A.; Christie, S.; Zaworotko, M.J.
Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin
Acta Crystallographica Section C
51(1)
(1995)
26-29 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
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2,010,358 | 18.027 | 0.009 | 11.706 | 0.005 | 19.845 | 0.004 | 90 | null | 99.81 | 0.03 | 90 | null | 4,127 | 3 | 290 | null | null | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | null | - C20 H20 F6 Fe O3 P - | - C20 H20 F6 Fe O2.5 P - | - C160 H160 F48 Fe8 O20 P8 - | 8 | 1 | BK1012 | Piorko, A.; Christie, S.; Zaworotko, M.J. | Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin | Acta Crystallographica Section C | 1,995 | 51 | 1 | 26 | 29 | 10.1107/S010827019400363X | 0.7107 | MoKα | null | 0.042 | null | null | 0.052 | null | null | null | null | 3.16 | 3.16 | null | null | null | has coordinates | Piorko, A.; Christie, S.; Zaworotko, M.J.
Hexafluorophosphate Salts of Cyclopentadienyliron(II) Complexes of Dibenzodioxin and 1-Methyldibenzodioxin
Acta Crystallographica Section C
51(1)
(1995)
26-29 | 190,970 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,359 | 4.6 | 0.003 | 10.041 | 0.001 | 24.835 | 0.0003 | 90 | null | 90 | null | 90 | null | 1,147.1 | 0.8 | 123 | null | 123.15 | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | EtdCyd | - C11 H17 N3 O4 - | - C11 H17 N3 O4 - | - C44 H68 N12 O16 - | 4 | 1 | Napper, Scott; Stuart, Allan L.; Kumar, Sashi V.P.; Gupta, V. Sagar; Delbaere, Louis T.J. | 5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~ | Acta Crystallographica Section C | 1,995 | 51 | 96 | 98 | null | null | 0.054 | null | null | 0.052 | null | null | null | null | null | null | null | 2,002,941 | null | has coordinates | Napper, Scott; Stuart, Allan L.; Kumar, Sashi V.P.; Gupta, V. Sagar; Delbaere, Louis T.J.
5-Ethyl-2'-deoxycytidine, C~11~H~17~N~3~O~4~
Acta Crystallographica Section C
51
(1995)
96-98 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,360 | 13.532 | 0.0007 | 13.817 | 0.001 | 14.0625 | 0.0009 | 90 | null | 117.906 | 0.006 | 90 | null | 2,323.5 | 0.3 | 297 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H39 Cl3 Cr N3 - | - C18 H39 Cl3 Cr N3 - | - C72 H156 Cl12 Cr4 N12 - | 4 | 1 | BK1036 | Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F. | Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium | Acta Crystallographica Section C | 1,995 | 51 | 1 | 18 | 20 | 10.1107/S0108270194006268 | 0.71073 | MoKα | null | 0.03 | null | null | 0.035 | null | null | null | null | 1.475 | 1.475 | null | null | null | has coordinates | Wu, F.-J.; Stahly, P.; Fronczek, F.R.; Watkins, S.F.
Trichloro(1,4,7-tri-<i>n</i>-butyl-1,4,7-triazacyclononane-<i>N</i>,<i>N</i>',<i>N</i>'')chromium
Acta Crystallographica Section C
51(1)
(1995)
18-20 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,361 | 21.937 | 0.008 | 15.327 | 0.003 | 6.924 | 0.001 | 90 | null | 90 | null | 90 | null | 2,328 | 2 | 296 | null | 296 | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C14 H15 N O2 - | - C14 H15 N O2 - | - C112 H120 N8 O16 - | 8 | 1 | Jasinski, Jerry P.; Woudenberg, Richard C. | 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms | Acta Crystallographica Section C | 1,995 | 51 | 107 | 109 | null | null | 0.045 | null | null | 0.054 | null | null | null | null | null | null | null | 2,002,969 | null | has coordinates | Jasinski, Jerry P.; Woudenberg, Richard C.
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
51
(1995)
107-109 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,362 | 8.779 | 0.002 | 22.042 | 0.005 | 6.043 | 0.002 | 90 | null | 90 | null | 90 | null | 1,169.3 | 0.8 | 296 | null | 23 | null | null | null | null | null | 4 | P n a 21 | P 2c -2n | 33 | - C14 H15 N O2 - | - C14 H15 N O2 - | - C56 H60 N4 O8 - | 4 | 1 | Jasinski, Jerry P.; Woudenberg, Richard C. | 7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms | Acta Crystallographica Section C | 1,995 | 51 | 107 | 109 | null | null | 0.037 | null | null | 0.043 | null | null | null | null | null | null | null | 2,002,970 | null | has coordinates | Jasinski, Jerry P.; Woudenberg, Richard C.
7-Dimethylaminocyclopenta[c]coumarin, In Two Polymorphic Forms
Acta Crystallographica Section C
51
(1995)
107-109 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
#$Date: 2023-11-10 21:21:08 +0200 (Fri, 10 Nov 2023) $
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2,010,363 | 14.639 | 0.001 | 5.523 | 0.001 | 10.722 | 0.001 | 90 | null | 111.99 | 0.01 | 90 | null | 803.8 | 0.2 | 296 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - Br H2 Li O5 - | - Br H2 Li O5 - | - Br8 H16 Li8 O40 - | 8 | 1 | Blackburn, Anthony C.; Gerkin, Roger E. | Lithium Perbromate Monohydrate at 296 and 173 K | Acta Crystallographica Section C | 1,995 | 51 | 03 | 07 | null | null | 0.024 | null | null | 0.03 | null | null | null | null | null | null | null | null | null | has coordinates | Blackburn, Anthony C.; Gerkin, Roger E.
Lithium Perbromate Monohydrate at 296 and 173 K
Acta Crystallographica Section C
51
(1995)
03-07 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,364 | 14.551 | 0.003 | 5.504 | 0.001 | 10.641 | 0.001 | 90 | null | 111.93 | 0.01 | 90 | null | 790.5 | 0.2 | 173 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - Br H2 Li O5 - | - Br H2 Li O5 - | - Br8 H16 Li8 O40 - | 8 | 1 | Blackburn, Anthony C.; Gerkin, Roger E. | Lithium Perbromate Monohydrate at 296 and 173 K | Acta Crystallographica Section C | 1,995 | 51 | 03 | 07 | null | null | 0.022 | null | null | 0.031 | null | null | null | null | null | null | null | null | null | has coordinates | Blackburn, Anthony C.; Gerkin, Roger E.
Lithium Perbromate Monohydrate at 296 and 173 K
Acta Crystallographica Section C
51
(1995)
03-07 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,365 | 25.767 | 0.002 | 13.897 | 0.002 | 19.867 | 0.004 | 90 | null | 126.91 | 0.01 | 90 | null | 5,688.3 | 1.7 | null | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | null | - C58 H80 O10 - | - C70 H116 O10 - | - C280 H464 O40 - | 4 | 0.5 | CR1139 | Marsh, R.E. | A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 157 | 158 | 10.1107/S0108270194004506 | null | null | null | null | null | null | null | null | null | null | null | null | null | null | null | has coordinates | Marsh, R.E.
A Revised Structure for Diethyl 5,11,17,23-Tetra-<i>tert</i>-butyl-26,28-bis(2-methoxyethoxy)calix[4]arene-25,27-bis(oxyacetate)
Acta Crystallographica Section C
51(1)
(1995)
157-158 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,366 | 8.2116 | 0.0007 | 11.229 | 0.001 | 7.5178 | 0.0009 | 108.507 | 0.008 | 113.336 | 0.007 | 73.187 | 0.007 | 592.9 | 0.1 | 294 | null | 294 | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | Vanadyl bis(acetylacetonate) | Bis(2,4-pentanedionato)oxovanadium(IV) | - C10 H14 O5 V - | - C10 H14 O5 V - | - C20 H28 O10 V2 - | 2 | 1 | FG1025 | Shuter, Edward; Rettig, Steven J.; Orvig, Chris | Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 12 | 14 | 10.1107/S0108270194010462 | 0.7107 | MoKα | 0.149 | 0.037 | null | 0.041 | 0.035 | null | null | null | null | 1.87 | 1.87 | null | 2,003,167 | null | has coordinates | Shuter, Edward; Rettig, Steven J.; Orvig, Chris
Bis(2,4-pentanedionato)oxovanadium(IV), a Redetermination
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
12-14 | 209,636 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,367 | 10.474 | 0.006 | 12.862 | 0.005 | 23.882 | 0.008 | 94.72 | 0.03 | 91.8 | 0.05 | 107.98 | 0.05 | 3,044 | 3 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C48 H40 I11 Mo4 P2 - | - C48 H40 I11 Mo4 P2 - | - C96 H80 I22 Mo8 P4 - | 2 | 1 | GR1011 | Gordon, J.C.; Poli, R. | A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~] | Acta Crystallographica Section C | 1,995 | 51 | 1 | 14 | 18 | 10.1107/S0108270194004877 | 0.71073 | MoKα | null | 0.06 | null | null | 0.078 | null | null | null | null | 2.97 | 2.97 | null | null | null | has coordinates | Gordon, J.C.; Poli, R.
A Tetranuclear Butterfly Cluster of Molybdenum, [PPh~4~]~2~[Mo~4~I~11~]
Acta Crystallographica Section C
51(1)
(1995)
14-18 | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
#$Date: 2022-09-28 18:08:17 +0300 (Wed, 28 Sep 2022) $
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2,010,368 | 7.347 | 0.001 | 24.849 | 0.006 | 9.001 | 0.001 | 90 | null | 107.14 | 0.01 | 90 | null | 1,570.3 | 0.5 | 213 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C10 H2 O11 Os3 - | - C10 O11 Os3 - | - C40 O44 Os12 - | 4 | 1 | GR1012 | Knoeppel, D.W.; Chung, J.-H.; Shore, S.G. | (μ-H)(μ-OH)Os~3~(CO)~10~ | Acta Crystallographica Section C | 1,995 | 51 | 1 | 42 | 45 | 10.1107/S0108270194006128 | 0.71073 | MoKα | null | 0.026 | null | null | 0.031 | null | null | null | null | 0.947 | 0.947 | null | null | null | has coordinates | Knoeppel, D.W.; Chung, J.-H.; Shore, S.G.
(μ-H)(μ-OH)Os~3~(CO)~10~
Acta Crystallographica Section C
51(1)
(1995)
42-45 | 278,324 | 2022-10-03 | 14:41:53 | #------------------------------------------------------------------------------
#$Date: 2022-10-03 17:40:12 +0300 (Mon, 03 Oct 2022) $
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2,010,369 | 12.3 | 0.02 | 9.02 | 0.011 | 11.482 | 0.004 | 117.1 | 0.1 | 88.79 | 0.02 | 97.88 | 0.01 | 1,122 | 3 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C21 H26 N4 O5 S - | - C21 H26 N4 O5 S - | - C42 H52 N8 O10 S2 - | 2 | 1 | HA1098 | Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S. | 2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide | Acta Crystallographica Section C | 1,995 | 51 | 1 | 139 | 141 | 10.1107/S0108270194004981 | 0.71073 | MoKα | null | 0.054 | null | null | 0.058 | null | null | null | null | null | null | null | null | null | has coordinates | Fawcett, J.; Kemmitt, R. D. W.; Russell, D. R.; Serindag, O.; Guzel, B.; Serin, S.
2-[5-(Diethylaminosulfonyl)-2-methoxyphenylhydrazono]-3-oxo-<i>N</i>-phenylbutyramide
Acta Crystallographica Section C
51(1)
(1995)
139-141 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,370 | 24.725 | 0.008 | 14.544 | 0.002 | 13.95 | 0.001 | 90 | null | 103.1 | 0.06 | 90 | null | 4,886 | 2 | 289 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | null | - C24 H21 F3 Fe2 O6 - | - C24 H21 F3 Fe2 O6 - | - C192 H168 F24 Fe16 O48 - | 8 | 1 | HL1042 | Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B. | [{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}] | Acta Crystallographica Section C | 1,995 | 51 | 1 | 34 | 37 | 10.1107/S0108270194000521 | 0.71073 | MoKα | null | 0.045 | null | null | 0.047 | null | null | null | null | 4.26 | 4.26 | null | null | null | has coordinates | Chen, J.; Zheng, P-J.; Yu, Y.; Chen, J-B.
[{μ-C(OC~2~H~5~)}(CO)~4~Fe~2~C{(OC~2~H~5~)(<i>p</i>-CF~3~C~6~H~4~)(η-C~7~H~7~)}]
Acta Crystallographica Section C
51(1)
(1995)
34-37 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,010,371 | 8.825 | 0.002 | 7.203 | 0.002 | 11.87 | 0.004 | 90 | null | 92.38 | 0.02 | 90 | null | 753.9 | 0.4 | 269 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C12 H18 N4 O8 Zn - | - C16 H18 N4 O8 Zn - | - C32 H36 N8 O16 Zn2 - | 2 | 0.5 | HR1000 | Okabe, N.; Sasaki, Y. | Zinc(II) Complex of Urocanic Acid | Acta Crystallographica Section C | 1,995 | 51 | 1 | 65 | 67 | 10.1107/S0108270194005056 | 0.71073 | MoKα | null | 0.032 | null | null | 0.042 | null | null | null | null | 1.72 | 1.72 | null | null | null | has coordinates | Okabe, N.; Sasaki, Y.
Zinc(II) Complex of Urocanic Acid
Acta Crystallographica Section C
51(1)
(1995)
65-67 | 176,760 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
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2,010,372 | 14.235 | 0.003 | 11.368 | 0.003 | 13.86 | 0.003 | 90 | null | 108.84 | 0.02 | 90 | null | 2,122.7 | 0.9 | 296 | null | null | null | null | null | null | null | 7 | P 1 21/n 1 | -P 2yn | 14 | - C17 H19 Cl Cu F6 N5 P - | - C17 H19 Cl Cu F6 N5 P - | - C68 H76 Cl4 Cu4 F24 N20 P4 - | 4 | 1 | HR1018 | Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M. | Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~ | Acta Crystallographica Section C | 1,995 | 51 | 1 | 50 | 52 | 10.1107/S010827019400644X | 0.71073 | MoKα | null | 0.045 | null | null | 0.048 | null | null | null | null | 1.06 | 1.06 | null | null | null | has coordinates | Wang, J.; Mashuta, M.S.; Richardson, J.F.; Buchanan, R.M.
Chloro[(1-methyl-2-imidazolyl-κ<i>N</i>^3^-methyl)-bis(2-pyridyl-κ<i>N</i>-methyl)amine-κ<i>N</i>]copper(II) Hexafluorophosphate, [CuCl(C~17~H~19~N~5~)]PF~6~
Acta Crystallographica Section C
51(1)
(1995)
50-52 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,373 | 10.563 | 0.002 | 10.603 | 0.003 | 12.25 | 0.003 | 97.68 | 0.04 | 99.34 | 0.03 | 93.11 | 0.02 | 1,337.6 | 0.5 | 293 | null | 293 | null | null | null | null | null | 8 | P 1 | P 1 | 1 | - C48 H38 Cl4 F6 Mn N5 O5 P6 - | - C48 H38 Cl4 F6 Mn N5 O5 P6 - | - C48 H38 Cl4 F6 Mn N5 O5 P6 - | 1 | 1 | Gabino A. Carriedo; Lucía Fernández; Paloma Gómez; Santiago García-Granda; Amador Menéndez Velázquez | cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese–Carbonyl Complex with a Phosphazenylphosphine Ligand | Acta Crystallographica Section C | 1,995 | 51 | 20 | 23 | null | null | 0.0442 | null | null | 0.1082 | null | null | null | null | null | null | null | 2,003,168 | null | has coordinates | Gabino A. Carriedo; Lucía Fernández; Paloma Gómez; Santiago García-Granda; Amador Menéndez Velázquez
cis-trans-[{N~3~P~3~Cl~4~(C~6~H~5~)(PPh~2~)}Mn(CO)~2~(bipy) {P(OPh)~3~}]PF~6~. A Cationic Manganese–Carbonyl Complex with a Phosphazenylphosphine Ligand
Acta Crystallographica Section C
51
(1995)
20-23 | 287,519 | 2023-11-10 | 19:29:22 | #------------------------------------------------------------------------------
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2,010,374 | 12.955 | 0.004 | 14.217 | 0.006 | 16.494 | 0.009 | 98.82 | 0.05 | 112.57 | 0.05 | 101.15 | 0.03 | 2,664 | 2 | 120 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C30 H32 Cu N4 O4 - | - C33 H26 Cu N4 O4 - | - C132 H104 Cu4 N16 O16 - | 4 | 2 | HR1021 | Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L. | Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 53 | 57 | 10.1107/S0108270194008024 | 0.71073 | MoKα | null | 0.082 | null | null | 0.072 | null | null | null | null | 2.841 | 2.841 | null | null | null | has coordinates | Goetz-Grandmont, G.J.; Tayeb, A.; Matt, D.; Brunette, J.-P.; Toupet, L.
Folding onto Copper(II) of a Flexible Bis-Chelating 4-Acyl-pyrazol-5-olate
Acta Crystallographica Section C
51(1)
(1995)
53-57 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,375 | 8.669 | 0.002 | 10.553 | 0.002 | 13.535 | 0.003 | 96.34 | 0.02 | 105.91 | 0.03 | 105.02 | 0.02 | 1,128 | 0.5 | 298 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C24 H27 N O5 S - | - C24 H27 N O5 S - | - C48 H54 N2 O10 S2 - | 2 | 1 | HU1057 | Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X. | 2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol | Acta Crystallographica Section C | 1,995 | 51 | 1 | 109 | 112 | 10.1107/S0108270194003719 | 0.71069 | MoKα | null | 0.056 | null | null | 0.066 | null | null | null | null | null | null | null | null | null | has coordinates | Arriortua, M.I.; Urtiaga, M.K.; Badia, D.; Dominguez, E.; Gonzalez Cameno, A.M.; Solans, X.
2-[(3,4-Dimethoxybenzyl)(<i>p</i>-toluenesulfonyl)amino]-2-phenylethanol
Acta Crystallographica Section C
51(1)
(1995)
109-112 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,376 | 15.664 | 0.002 | 15.664 | 0.002 | 16.97 | 0.002 | 90 | null | 90 | null | 90 | null | 4,163.8 | 0.9 | 293 | null | null | null | null | null | null | null | 5 | I 41/a c d | I -4 2aw -bw | null | - C20 H20 Cl2 N4 Ru - | - C20 H20 Cl4 N4 Ru2 - | - C160 H160 Cl32 N32 Ru16 - | 8 | null | HU1072 | Elsegood, M.R.J.; Tocher, D.A. | <i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II) | Acta Crystallographica Section C | 1,995 | 51 | 1 | 40 | 42 | 10.1107/S0108270194006451 | 0.71073 | MoKα | null | 0.0453 | null | null | 0.032 | null | null | null | null | 2.2258 | 2.2258 | null | null | null | has coordinates | Elsegood, M.R.J.; Tocher, D.A.
<i>trans</i>-Dichlorotetrakis(pyridine-<i>N</i>)ruthenium(II)
Acta Crystallographica Section C
51(1)
(1995)
40-42 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,010,377 | 11.007 | 0.001 | 19.1 | 0.003 | 14.976 | 0.002 | 90 | null | 110.21 | 0.02 | 90 | null | 2,954.6 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C14 H24 O3 S - | - C14 H24 O3 S - | - C112 H192 O24 S8 - | 8 | 2 | HU1088 | Hellier, Desmond G.; Majid Motevalli | 4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S | Acta Crystallographica Section C | 1,995 | 51 | 1 | 129 | 131 | 10.1107/S0108270194007171 | 0.71069 | MoKα | 0.0912 | 0.0489 | null | 0.1228 | 0.1153 | null | null | null | 1.01 | 1.242 | 1.242 | null | null | null | has coordinates | Hellier, Desmond G.; Majid Motevalli
4,5-Dicyclohexyl-1,3,2-dioxathiolane 2-Oxide, C~14~H~24~O~3~S
Acta Crystallographica Section C
51(1)
(1995)
129-131 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,378 | 7.176 | 0.001 | 11.969 | 0.002 | 12.621 | 0.002 | 90 | null | 90 | null | 90 | null | 1,084 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H16 O3 S - | - C10 H16 O3 S - | - C40 H64 O12 S4 - | 4 | 1 | HU1093 | Hellier, Desmond G.; Motevalli, Majid | Two Isomeric Sulfites of 10β-Pinane-2,3α-diol | Acta Crystallographica Section C | 1,995 | 51 | 1 | 116 | 119 | 10.1107/S0108270194007183 | 0.71069 | MoKα | 0.113 | 0.0477 | null | 0.1163 | 0.1046 | null | null | null | 0.947 | 1.182 | 1.182 | null | null | null | has coordinates | Hellier, Desmond G.; Motevalli, Majid
Two Isomeric Sulfites of 10β-Pinane-2,3α-diol
Acta Crystallographica Section C
51(1)
(1995)
116-119 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,379 | 6.706 | 0.001 | 12.49 | 0.002 | 12.965 | 0.003 | 90 | null | 90 | null | 90 | null | 1,085.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H16 O3 S - | - C10 H16 O3 S - | - C40 H64 O12 S4 - | 4 | 1 | HU1093 | Hellier, Desmond G.; Motevalli, Majid | Two Isomeric Sulfites of 10β-Pinane-2,3α-diol | Acta Crystallographica Section C | 1,995 | 51 | 1 | 116 | 119 | 10.1107/S0108270194007183 | 1.5418 | CuKα | 0.1513 | 0.0457 | null | 0.1025 | 0.0869 | null | null | null | 0.841 | 1.216 | 1.216 | null | null | null | has coordinates | Hellier, Desmond G.; Motevalli, Majid
Two Isomeric Sulfites of 10β-Pinane-2,3α-diol
Acta Crystallographica Section C
51(1)
(1995)
116-119 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
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2,010,380 | 12.674 | 0.003 | 20.023 | 0.004 | 11.494 | 0.003 | 90 | null | 96.11 | 0.02 | 90 | null | 2,900.3 | 1.2 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide | - C29 H35 N2 O5 P S - | - C29 H35 N2 O5 P S - | - C116 H140 N8 O20 P4 S4 - | 4 | 1 | HU1098 | Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre | A Macrobicyclic Thiophosphonamide Polyether Ligand | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 80 | 84 | 10.1107/S0108270194003914 | 0.71069 | MolybdenumKα | 0.0671 | 0.0487 | null | 0.1386 | 0.1306 | null | null | null | 1.061 | 1.176 | 1.176 | null | 2,003,169 | null | has coordinates | Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre
A Macrobicyclic Thiophosphonamide Polyether Ligand
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
80-84 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,381 | 16.791 | 0.012 | 15.927 | 0.011 | 10.922 | 0.006 | 90 | null | 100.31 | 0.05 | 90 | null | 2,874 | 3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | 31-phenyl-13,16,19,22,25-pentoxa-2,6,31-diazaphosphatetracyclo [24,4,0,1^2,6^,0^7,12^]hentriaconta-1(26),7,9,11,27,29-hexene-31-sulfide | - C29 H35 N2 O5 P S - | - C32 N2 O6 P S - | - C128 N8 O24 P4 S4 - | 4 | 1 | HU1098 | Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre | A Macrobicyclic Thiophosphonamide Polyether Ligand | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 80 | 84 | 10.1107/S0108270194003914 | 0.71069 | MolybdenumKα | 0.086 | 0.056 | null | 0.1607 | 0.1511 | null | null | null | 1.063 | 1.19 | 1.19 | null | 2,003,170 | null | has coordinates | Van Oostenryck, Luc; Tinant, Bernard; Declercq, Jean-Paul; Dutasta, Jean-Pierre
A Macrobicyclic Thiophosphonamide Polyether Ligand
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1995)
80-84 | 269,317 | 2021-09-26 | 23:31:58 | #------------------------------------------------------------------------------
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2,010,382 | 9.97 | 0.002 | 14.049 | 0.003 | 19.013 | 0.004 | 90 | null | 90 | null | 90 | null | 2,663.1 | 1 | 298 | null | null | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H45 N2 O3 P - | - C23 H45 N2 O3 P - | - C92 H180 N8 O12 P4 - | 4 | 1 | HU1102 | Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D. | A Chiral Bicyclic 1-Acetoxy Phosphonamide | Acta Crystallographica Section C | 1,995 | 51 | 1 | 86 | 88 | 10.1107/S0108270194007948 | 0.71073 | MoKα | null | 0.0495 | null | null | 0.0593 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Blazis, Vincent J.; Koeller, Kevin J.; Rath, Nigam P.; Spilling, Christopher D.
A Chiral Bicyclic 1-Acetoxy Phosphonamide
Acta Crystallographica Section C
51(1)
(1995)
86-88 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,383 | 9.028 | 0.007 | 5.256 | 0.002 | 23.022 | 0.016 | 90 | null | 92.78 | 0.06 | 90 | null | 1,091.1 | 1.2 | 293 | 2 | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C11 H14 N2 O S - | - C11 H14 N2 O S - | - C44 H56 N8 O4 S4 - | 4 | 1 | KA1048 | Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B. | 4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one | Acta Crystallographica Section C | 1,995 | 51 | 1 | 151 | 152 | 10.1107/S0108270194001812 | 1.54178 | CuKα | null | 0.0477 | null | null | 0.056 | null | null | null | null | 6.2 | 6.2 | null | null | null | has coordinates | Kožíšek, J.; Ulický, L.; Marchalín, S.; Žák, Z.; Decroix, B.
4,6,7,8,9,9a-Hexahydro-11<i>H</i>-pyrido[1,2-<i>a</i>]thieno[2,3-<i>e</i>][1,3]diazepin-11(10<i>H</i>)-one
Acta Crystallographica Section C
51(1)
(1995)
151-152 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
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2,010,384 | 6.4 | 0.001 | 10.767 | 0.001 | 11.203 | 0.002 | 91.62 | 0.01 | 91.34 | 0.02 | 102.2 | 0.2 | 753.9 | 0.2 | 295 | 2 | null | null | null | null | null | null | 4 | P -1 | -P 1 | 2 | - C15 H23 N2 O3 - | - C15 H23 N2 O3 - | - C30 H46 N4 O6 - | 2 | 1 | Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof | Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide | Acta Crystallographica, Section C: Crystal Structure Communications | 1,995 | 51 | 1 | 121 | 123 | 10.1107/s0108270194007791 | null | null | 0.045 | null | null | 0.043 | null | null | null | null | null | null | null | null | null | has coordinates | Olszak, Tomasz A.; Sobczynski, Piotr H.; Brzozowski, A. M.; Grabowski, M. J.; Gwozdzinski, Krzysztof
Piperidine Nitroxide Radicals with Heterocyclic Ring Substituents. 4-Hydroxy-2,2,6,6-tetramethyl-4-(2-pyridylmethyl 1-oxide)piperidine 1-oxide
Acta Crystallographica, Section C: Crystal Structure Communications
51(1)
(1... | 278,247 | 2022-09-28 | 15:09:32 | #------------------------------------------------------------------------------
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2,010,385 | 9.15 | 0.004 | 17.465 | 0.006 | 12.098 | 0.005 | 89.99 | 0.02 | 106.89 | 0.02 | 89.99 | 0.02 | 1,849.9 | 1.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C23 H23 N O3 - | - C23 H23 N O3 - | - C92 H92 N4 O12 - | 4 | 1 | KA1072 | Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G. | 5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one | Acta Crystallographica Section C | 1,995 | 51 | 1 | 131 | 134 | 10.1107/S010827019400497X | 0.7107 | MoKα | null | 0.05 | null | null | 0.058 | null | null | null | null | 0.87 | 0.87 | null | null | null | has coordinates | Kapor, A.; Stájer, G.; Frimpong-Manso, S.; Bernáth, G.
5a<i>r</i>-<i>p</i>-Tolyl-6a<i>t</i>,7<i>t</i>,8,9,10<i>t</i>,10a<i>t</i>-hexahydro-11<i>H</i>,13<i>H</i>-7,10-methano[1,3]benzoxazino[2,3-<i>b</i>][1,3]benzoxazin-13-one
Acta Crystallographica Section C
51(1)
(1995)
131-134 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010385.cif $
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2,010,386 | 15.606 | 0.002 | 10.624 | 0.002 | 13.499 | 0.002 | 90 | null | 98.89 | 0.01 | 90 | null | 2,211.2 | 0.6 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C25 H25 N O5 S - | - C25 H25 N O5 S - | - C100 H100 N4 O20 S4 - | 4 | 1 | LI1101 | Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T. | Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate | Acta Crystallographica Section C | 1,995 | 51 | 1 | 112 | 114 | 10.1107/S010827019400524X | 0.71069 | MoKα | null | 0.037 | null | null | 0.037 | null | null | null | null | 0.873 | 0.873 | null | null | null | has coordinates | Urtiaga, M.K.; Badiá, D.; Domínguez, E.; González-Cameno, A.M.; Amigó, J.M.; Reventós, M.M.; Debaerdemaeker, T.
Methyl (3<i>R</i>*,4<i>R</i>*)-4-Hydroxy-3-phenyl-2-(<i>p</i>-toluenesulfonyl)-1,2,3,4-tetrahydro-4-isoquinolinylacetate
Acta Crystallographica Section C
51(1)
(1995)
112-114 | 301,798 | 2025-08-19 | 6:41:45 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 09:12:48 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301798 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/01/03/2010386.cif $
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