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|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,004,385 | 9.7749 | 0.0014 | 16.821 | 0.003 | 15.293 | 0.002 | 90 | null | 99.501 | 0.014 | 90 | null | 2,480 | 0.7 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | Potassium-dibenzo[18]crown-6 triiodide | [(dibenzo[b,k][1,4,7,10,13,16]hexaoxa-cyclooctadeca-2,11-diene)potassium] triiodide | - C20 H24 I3 K O6 - | - C20 H24 I3 K O6 - | - C80 H96 I12 K4 O24 - | 4 | 1 | HA1143 | Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M. | Potassium Dibenzo-18-crown-6 Triiodide | Acta Crystallographica Section C | 1,996 | 52 | 1 | 24 | 27 | 10.1107/S0108270195010626 | 0.71073 | MoKα | 0.0543 | 0.0419 | null | 0.1159 | 0.1056 | null | null | null | 1.046 | 1.084 | 1.084 | null | null | null | has coordinates,has Fobs | Blake, A. J.; Gould, R. O.; Parsons, S.; Radek, C.; Schröder, M.
Potassium Dibenzo-18-crown-6 Triiodide
Acta Crystallographica Section C
52(1)
(1996)
24-27 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,386 | 8.446 | 0.003 | 23.76 | 0.08 | 10.454 | 0.002 | 90 | null | 90 | null | 90 | null | 2,098 | 7 | 293 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | null | - C11 H10 N2 O S - | - C11 H10 N2 O S - | - C88 H80 N16 O8 S8 - | 8 | 1 | HA1147 | Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C. | <i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact | Acta Crystallographica Section C | 1,996 | 52 | 1 | 136 | 139 | 10.1107/S0108270195011577 | 0.71069 | MoKα | null | 0.041 | null | null | 0.045 | null | null | null | null | 1.42 | 1.42 | null | null | null | has coordinates | Hansell, D. P.; Robinson, K. J.; Wallis, J. D.; Povey, D. C.
<i>N</i>-[3-Methyl-2(3<i>H</i>)-thiazolylidene]benzamide Containing a Short Intramolecular S···O Contact
Acta Crystallographica Section C
52(1)
(1996)
136-139 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,387 | 6.814 | 0.002 | 12.083 | 0.006 | 13.762 | 0.007 | 90 | null | 96.15 | 0.03 | 90 | null | 1,126.6 | 0.9 | 296 | 2 | 296 | 2 | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | Bis[triaqua(2-aminopyrimidine)μu-sulphato-o,o^,^-cobalt(II)] dihydrate | - C8 H26 Co2 N6 O16 S2 - | - C8 H26 Co2 N6 O16 S2 - | - C16 H52 Co4 N12 O32 S4 - | 2 | 0.5 | HR1034 | Lumme, P. O.; Knuuttila, H.; Lindell, E. | Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</... | Acta Crystallographica Section C | 1,996 | 52 | 1 | 51 | 56 | 10.1107/S0108270195001338 | 0.71069 | MoKα | 0.118 | 0.061 | null | 0.128 | 0.055 | null | null | null | 4.477 | 2.44 | 2.44 | null | null | null | has coordinates | Lumme, P. O.; Knuuttila, H.; Lindell, E.
Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulf... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,289 | 18.77 | 0.002 | 28.113 | 0.004 | 16.461 | 0.003 | 90 | 0.01 | 120.65 | 0.01 | 90 | 0.01 | 7,473 | 2 | 153 | 5 | 153 | 5 | null | null | null | null | 5 | C 1 2/m 1 | -C 2y | 12 | (py)8Sm8Se6(SePh)12,3(py) | - C31.75 H28.75 N2.75 Se4.5 Sm2 - | - C32.3 H28.8 N2.76 Se4.5 Sm2 - | - C258.4 H230.4 N22.08 Se36 Sm16 - | 8 | 1 | Deborah Freedman; Thomas J. Emge; John G. Brennan | (THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands | Inorganic Chemistry | 1,999 | 38 | 4400 | 4404 | 10.1021/ic9905493 | 0.71073 | MoKα | 0.1216 | 0.051 | null | null | 0.1289 | 0.1424 | null | null | null | null | null | 1.08 | null | null | has coordinates,has disorder | Deborah Freedman; Thomas J. Emge; John G. Brennan
(THF)8Ln8E6(EPh)12 Cluster Reactivity: Systematic Control of Ln, E, EPh, and Neutral Donor Ligands
Inorganic Chemistry
38
(1999)
4400-4404 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
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2,004,388 | 6.426 | 0.003 | 11.027 | 0.006 | 13.68 | 0.01 | 93.11 | 0.06 | 90.64 | 0.06 | 95.06 | 0.04 | 964 | 1 | 295 | 1 | 295 | 1 | null | null | null | null | 6 | P -1 | -P 1 | 2 | catena-[Diaqua2(2-aminopyrimidine)-μ-sulphato-o,o^,^-nickel(II)] 2-aminopyrimidine | - C12 H19 N9 Ni O6 S - | - C12 H19 N9 Ni O6 S - | - C24 H38 N18 Ni2 O12 S2 - | 2 | 1 | HR1034 | Lumme, P. O.; Knuuttila, H.; Lindell, E. | Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</... | Acta Crystallographica Section C | 1,996 | 52 | 1 | 51 | 56 | 10.1107/S0108270195001338 | 0.71069 | MoKα | 0.193 | 0.092 | null | 0.105 | 0.069 | null | null | null | 3.113 | 3.02 | 3.02 | null | null | null | has coordinates | Lumme, P. O.; Knuuttila, H.; Lindell, E.
Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulf... | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,004,389 | 7.28 | 0.002 | 10.391 | 0.003 | 22.329 | 0.007 | 90 | null | 90 | null | 90 | null | 1,689.1 | 0.9 | 295 | 1 | 295 | 1 | null | null | null | null | 6 | P 21 21 21 | P 2ac 2ab | 19 | [Pentaaqua(2-aminopyrimidine)nickel(II)]2-aminopyrimidine | - C8 H20 N6 Ni O9 S - | - C8 H20 N6 Ni O9 S - | - C32 H80 N24 Ni4 O36 S4 - | 4 | 1 | HR1034 | Lumme, P. O.; Knuuttila, H.; Lindell, E. | Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</... | Acta Crystallographica Section C | 1,996 | 52 | 1 | 51 | 56 | 10.1107/S0108270195001338 | 0.71069 | MoKα | 0.052 | 0.034 | null | 0.049 | 0.036 | null | null | null | 3.275 | 2.48 | 2.48 | null | null | null | has coordinates | Lumme, P. O.; Knuuttila, H.; Lindell, E.
Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulf... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,288 | 4.521 | 0.003 | 4.331 | 0.003 | 11.913 | 0.007 | 90 | null | 99.668 | 0.0011 | 90 | null | 229.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/m 1 | -P 2yb | 11 | Lanthanum Indium Diantimonide | - In0.8 La Sb2 - | - In0.812 La Sb2 - | - In1.624 La2 Sb4 - | 2 | 0.5 | Michael J. Ferguson; Robert E. Ellenwood; Arthur Mar | A New Rare-Earth Indium Antimonide, (RE)In1-xSb2 (RE = La-Nd), Featuring In Zigzag Chains and Sb Square Nets | Inorganic Chemistry | 1,999 | 38 | 4503 | 4509 | 10.1021/ic9905244 | 0.71073 | MoKα | 0.0555 | 0.0491 | null | null | 0.1282 | 0.1308 | null | null | null | null | null | 1.177 | null | null | has coordinates | Michael J. Ferguson; Robert E. Ellenwood; Arthur Mar
A New Rare-Earth Indium Antimonide, (RE)In1-xSb2 (RE = La-Nd), Featuring In Zigzag Chains and Sb Square Nets
Inorganic Chemistry
38
(1999)
4503-4509 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,390 | 4.927 | 0.002 | 19.119 | 0.009 | 7.93 | 0.004 | 90 | null | 94.77 | 0.03 | 90 | null | 744.4 | 0.6 | 295 | 1 | 295 | 1 | null | null | null | null | 6 | P 1 21/m 1 | -P 2yb | 11 | catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate | - C8 H16 Cu N6 O7 S - | - C8 H16 Cu N6 O7 S - | - C16 H32 Cu2 N12 O14 S2 - | 2 | 0.5 | HR1034 | Lumme, P. O.; Knuuttila, H.; Lindell, E. | Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</... | Acta Crystallographica Section C | 1,996 | 52 | 1 | 51 | 56 | 10.1107/S0108270195001338 | 0.71069 | MoKα | 0.065 | 0.039 | null | 0.042 | 0.035 | null | null | null | 1.742 | 2.06 | 2.06 | null | null | null | has coordinates | Lumme, P. O.; Knuuttila, H.; Lindell, E.
Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulf... | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
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2,004,391 | 7.5415 | 0.001 | 18.3253 | 0.0024 | 13.382 | 0.003 | 90 | null | 90 | null | 90 | null | 1,849.4 | 0.5 | 298 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C16 H24 Ge O8 - | - C16 H24 Ge O8 - | - C64 H96 Ge4 O32 - | 4 | 0.5 | HU1094 | Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H. | Bis(1,2-benzenediolato)dimethanolgermanium(IV) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 31 | 33 | 10.1107/S0108270195007463 | 0.7107 | MoKα | null | 0.035 | null | null | 0.039 | null | null | null | null | 2.36 | 2.36 | null | null | null | has coordinates | Chiang, H.-C.; Hwang, S.-F.; Ueng, C.-H.
Bis(1,2-benzenediolato)dimethanolgermanium(IV)
Acta Crystallographica Section C
52(1)
(1996)
31-33 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,392 | 9.84 | 0.002 | 10.379 | 0.004 | 13.804 | 0.003 | 111.5 | 0.02 | 105.4 | 0.02 | 102.12 | 0.02 | 1,188.1 | 0.7 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C27 H23 As O2 Se - | - C27 H23 As O2 Se - | - C54 H46 As2 O4 Se2 - | 2 | 1 | JZ1054 | Lu, W.-M.; Huang, Z.-Z.; Huang, X. | α-Phenylselenomethoxycarbonylmethyl(triphenyl)arsorane | Acta Crystallographica Section C | 1,996 | 52 | 1 | 89 | 91 | 10.1107/S0108270195007815 | 0.71073 | MoKα | null | 0.048 | null | null | 0.054 | null | null | null | null | 1.973 | 1.973 | null | null | null | has coordinates | Lu, W.-M.; Huang, Z.-Z.; Huang, X.
α-Phenylselenomethoxycarbonylmethyl(triphenyl)arsorane
Acta Crystallographica Section C
52(1)
(1996)
89-91 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,287 | 16.156 | 0.008 | 13.482 | 0.003 | 26.102 | 0.009 | 90 | 0.03 | 100.92 | 0.03 | 90 | 0.03 | 5,582 | 4 | 296.2 | null | 296.2 | null | null | null | null | null | 8 | P 1 21/c 1 | -P 2ybc | 14 | - C31 H73 Br2 Cu4 Mo2 O P4 S8 - | - C31 H58 Br2 Cu4 Mo2 O P4 S8 - | - C124 H232 Br8 Cu16 Mo8 O4 P16 S32 - | 4 | 1 | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi | Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr | Inorganic Chemistry | 1,999 | 38 | 4549 | 4553 | 10.1021/ic990435r | 0.7107 | MoKα | 0.0427 | 0.0427 | null | null | 0.0586 | 0.0586 | null | null | null | null | null | 1.067 | null | null | has coordinates | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
Inorganic Chemistry
38
(1999)
4549-4553 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,393 | 8.988 | 0.006 | 16.861 | 0.004 | 17.737 | 0.002 | 90 | null | 96.48 | 0.03 | 90 | null | 2,670.8 | 1.9 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | 3,8-Dichloro-1,1,2,2-tetraphenylnaphthocyclobutene | - C36 H24 Cl2 - | - C36 H24 Cl2 - | - C144 H96 Cl8 - | 4 | 1 | JZ1061 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 177 | 180 | 10.1107/S0108270195011097 | 0.7107 | MoKα | 0.0696 | 0.048 | null | 0.156 | 0.1391 | null | null | null | 0.924 | 0.965 | 0.965 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solva... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,394 | 11.415 | 0.004 | 14.316 | 0.002 | 18.785 | 0.004 | 85.29 | 0.02 | 79.11 | 0.03 | 82.63 | 0.03 | 2,984.3 | 1.3 | 298 | 2 | 298 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | 4,5,8,11-tetrachloro-9,10-dimethyl-1,1,2,2,6,6,7,7-octaphenyl- phenanthrodicyclobutene toluene solvate | - C78.5 H58 Cl4 - | - C78.5 H54 Cl4 - | - C157 H108 Cl8 - | 2 | 1 | JZ1061 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solvate, C~68~H~46~Cl~4~.1.5C~7~H~8~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 177 | 180 | 10.1107/S0108270195011097 | 0.7107 | MoKα | 0.0733 | 0.061 | null | 0.1953 | 0.1863 | null | null | null | 1.317 | 1.397 | 1.397 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
Extremely Long C—C Bonds in Strained 1,1,2,2-Tetraphenylcyclobutaarenes: 3,8-Dichloro-1,1,2,2-tetraphenylcyclobuta[<i>b</i>]naphthalene, C~36~H~24~Cl~2~, and 3,6,9,10-Tetrachloro-4,5-dimethyl-1,1,2,2,7,7,8,8-octaphenyldicyclobuta[<i>b</i>,<i>h</i>]phenanthrene Toluene Solva... | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,395 | 6.522 | 0.003 | 6.852 | 0.001 | 10.539 | 0.001 | 71.24 | 0.01 | 78.88 | 0.03 | 63.29 | 0.03 | 397.7 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | 2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octan-1-oxide | - C4 H8 As O P S2 - | - C4 H8 As O P S2 - | - C8 H16 As2 O2 P2 S4 - | 2 | 1 | JZ1062 | Jurkschat, K.; Schollmeyer, D. | 2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octane 1-Oxide | Acta Crystallographica Section C | 1,996 | 52 | 1 | 250 | 252 | 10.1107/S0108270195011449 | 0.7107 | MoKα | 0.036 | 0.0297 | null | 0.0826 | 0.0797 | null | null | null | 1.12 | 1.146 | 1.146 | null | null | null | has coordinates | Jurkschat, K.; Schollmeyer, D.
2,8-Dithia-1-phospha-5-arsabicyclo[3.3.0]octane 1-Oxide
Acta Crystallographica Section C
52(1)
(1996)
250-252 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,396 | 10.26 | 0.007 | 10.819 | 0.005 | 16.266 | 0.009 | 90 | null | 106.07 | 0.07 | 90 | null | 1,735 | 1.8 | 295 | 2 | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C17 H22 N2 O5 - | - C17 H22 N2 O5 - | - C68 H88 N8 O20 - | 4 | 2 | KA1119 | Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H. | (<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 199 | 201 | 10.1107/S010827019500905X | 0.71069 | MoKα | null | 0.058 | null | null | 0.06 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Tomas, A.; Lemoine, P.; Viossat, B.; Robin, S.; Zhu, J.; Galons, H.
(<i>S</i>)-3-(1,1-Dimethyloxycarbonylamino)-1-phenylmethyloxypiperidine-2,6-dione, C~17~H~22~N~2~O~5~
Acta Crystallographica Section C
52(1)
(1996)
199-201 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,286 | 14.74 | 0.002 | 13.778 | 0.002 | 19.537 | 0.002 | 90 | null | 97.713 | 0.01 | 90 | null | 3,931.8 | 0.9 | 296.2 | null | 296.2 | null | null | null | null | null | 8 | C 1 2/c 1 | -C 2yc | 15 | - C18 H44 Cl6 Fe Mo2 O2 P4 S4 - | - C18 H44 Cl6 Fe Mo2 O2 P4 S4 - | - C72 H176 Cl24 Fe4 Mo8 O8 P16 S16 - | 4 | 0.5 | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi | Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr | Inorganic Chemistry | 1,999 | 38 | 4549 | 4553 | 10.1021/ic990435r | 0.7107 | MoKα | 0 | 0 | null | null | 0 | 0.0538 | null | null | null | null | null | 1.107 | null | null | has coordinates | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
Inorganic Chemistry
38
(1999)
4549-4553 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,397 | 10.262 | 0.003 | 10.595 | 0.003 | 11.95 | 0.004 | 88.36 | 0.02 | 84.28 | 0.02 | 83.07 | 0.02 | 1,283.2 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis(1,10-phenanthroline)cyanocopper(II) Tricyanomethanide Dihydrate. | - C29 H20 Cu N8 O2 - | - C29 H20 Cu N8 O2 - | - C58 H40 Cu2 N16 O4 - | 2 | 1 | KA1132 | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L. | Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 48 | 50 | 10.1107/S0108270195008638 | 0.71069 | MoKα | 0.0975 | 0.0438 | null | 0.1196 | 0.1084 | null | null | null | 0.913 | 1.094 | 1.094 | null | null | null | has coordinates | Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.
Cyanobis(1,10-phenanthroline)copper(II) Tricyanomethanide Dihydrate
Acta Crystallographica Section C
52(1)
(1996)
48-50 | 199,607 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,398 | 16.451 | 0.001 | 9.481 | 0.001 | 16.577 | 0.001 | 90 | null | 102.34 | 0.01 | 90 | null | 2,525.8 | 0.4 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | dimethyl 2,3-bis(diphenylmethylene)-1,4-butanedicarboxylate or 2,3-di(methyl carboxylate)-1,1,4,4-tetraphenyl-1,3-butadiene | - C32 H26 O4 - | - C32 H26 O4 - | - C128 H104 O16 - | 4 | 0.5 | KA1141 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene | Acta Crystallographica Section C | 1,996 | 52 | 1 | 118 | 122 | 10.1107/S0108270195011358 | 0.71073 | MoKα | 0.0616 | 0.0497 | null | 0.1551 | 0.1436 | null | null | null | 1.021 | 1.061 | 1.061 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene
Acta Crystallographica Section C
52(1)
(1996)
118-122 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,399 | 10.3 | 0.008 | 16.004 | 0.002 | 17.788 | 0.003 | 90 | null | 92.06 | 0.03 | 90 | null | 2,930 | 2 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 2,3-bis(diphenylmethylene)-1,4-butanedioic acid diethanol solvate or 2,3-dicarboxylic acid-1,1,4,4-tetraphenyl-1,3-butadiene diethanol solvate | - C34 H34 O6 - | - C34 H34 O6 - | - C136 H136 O24 - | 4 | 1 | KA1141 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene | Acta Crystallographica Section C | 1,996 | 52 | 1 | 118 | 122 | 10.1107/S0108270195011358 | 0.71073 | MoKα | 0.1192 | 0.0832 | null | 0.2542 | 0.2181 | null | null | null | 1.341 | 1.51 | 1.51 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene
Acta Crystallographica Section C
52(1)
(1996)
118-122 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,400 | 14.643 | 0.004 | 8.889 | 0.001 | 19.682 | 0.004 | 90 | null | 105.22 | 0.02 | 90 | null | 2,472 | 0.9 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P 1 2/n 1 | -P 2yac | 13 | 2,3-dimethylbromide-1,1,4,4-tetraphenyl-1,3-butadiene | - C30 H24 Br2 - | - C30 H24 Br2 - | - C120 H96 Br8 - | 4 | 1 | KA1141 | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I. | Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene | Acta Crystallographica Section C | 1,996 | 52 | 1 | 118 | 122 | 10.1107/S0108270195011358 | 0.71073 | MoKα | 0.1347 | 0.1013 | null | 0.2372 | 0.2224 | null | null | null | 1.316 | 1.522 | 1.522 | null | null | null | has coordinates | Toda, F.; Tanaka, K.; Stein, Z.; Goldberg, I.
Conformation of Acyclic Derivatives of 1,1,4,4-Tetraphenyl-1,3-butadiene
Acta Crystallographica Section C
52(1)
(1996)
118-122 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,401 | 9.267 | 0.002 | 10.344 | 0.003 | 12.149 | 0.002 | 97.29 | 0.02 | 104.51 | 0.02 | 105.49 | 0.02 | 1,062.8 | 0.5 | 293 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C42 H54 N2 O14 S2 - | - C46 H46 N2 O16 S2 - | - C46 H46 N2 O16 S2 - | 1 | 0.5 | KA1145 | Bien, J. T.; Shang, M.; Smith, B. D. | 7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo | Acta Crystallographica Section C | 1,996 | 52 | 1 | 183 | 186 | 10.1107/S0108270195012455 | 0.71073 | MoKα | null | 0.05085 | null | null | 0.06747 | null | null | null | null | 2.256 | 2.256 | null | null | null | has coordinates | Bien, J. T.; Shang, M.; Smith, B. D.
7,7'-Bis[(aza-18-crown-6)carbonyl]thioindigo
Acta Crystallographica Section C
52(1)
(1996)
183-186 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,402 | 32.549 | 0.008 | 6.604 | 0.001 | 14.933 | 0.005 | 90 | null | 95.21 | 0.02 | 90 | null | 3,196.6 | 1.4 | 293 | null | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | 15 | - C32 H50 Cl2 Zr - | - C32 H50 Cl2 Zr - | - C128 H200 Cl8 Zr4 - | 4 | 0.5 | KH1008 | Tian, J.; Li, H.; Hu, N.-H.; Huang, B.-T. | A New Zirconocene Complex, [{η^5^-C~5~H~4~-C(CH~2~)~5~(CH~2~)~2~CH(CH~3~)~2~}~2~ZrCl~2~] | Acta Crystallographica Section C | 1,996 | 52 | 1 | 19 | 21 | 10.1107/S0108270195005543 | 0.71073 | MoKα | null | 0.035 | null | null | 0.044 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Tian, J.; Li, H.; Hu, N.-H.; Huang, B.-T.
A New Zirconocene Complex, [{η^5^-C~5~H~4~-C(CH~2~)~5~(CH~2~)~2~CH(CH~3~)~2~}~2~ZrCl~2~]
Acta Crystallographica Section C
52(1)
(1996)
19-21 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,403 | 10.38 | 0.007 | 4.65 | 0.004 | 16.04 | 0.01 | 90 | null | 92.25 | 0.07 | 90 | null | 773.6 | 1 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H14 N2 O2 - | - C20 H14 N2 O2 - | - C40 H28 N4 O4 - | 2 | 0.5 | KH1043 | Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T. | <i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene | Acta Crystallographica Section C | 1,996 | 52 | 1 | 172 | 174 | 10.1107/S0108270195011450 | 0.71069 | MoKα | null | 0.036 | null | null | 0.032 | null | null | null | null | 2.45 | 2.45 | null | null | null | has coordinates | Yoneda, A.; Hakushi, T.; Newkome, G. R.; Matsushita, T.
<i>trans</i>-1,2-Bis(8-hydroxy-2-quinolinyl)ethene: Comparison with <i>trans</i>-Stilbene
Acta Crystallographica Section C
52(1)
(1996)
172-174 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,404 | 13.527 | 0.004 | 15.592 | 0.005 | 12.429 | 0.006 | 104.91 | 0.03 | 94.72 | 0.03 | 101.19 | 0.02 | 2,460.7 | 1.7 | 296 | null | null | null | null | null | null | null | 9 | P -1 | -P 1 | 2 | - C44 H50 Ag Br2 Fe N P2 S4 W - | - C44 H50 Ag Br2 Fe N P2 S4 W - | - C88 H100 Ag2 Br4 Fe2 N2 P4 S8 W2 - | 2 | 1 | KH1045 | Lin, P.; Huang, Q.; Sheng, T.; Wu, X. | The Heterotrimetallic Linear Complex Tetraethylammonium Dibromo-2κ^2^<i>Br</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine-3κ<i>P</i>)-2-iron-3-silver-1-tungsten, [Et~4~N][Br~2~FeS~2~WS~2~Ag(PPh~3~)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 1 | 27 | 29 | 10.1107/S0108270195009723 | 0.71073 | MoKα | null | 0.044 | null | null | 0.053 | null | null | null | null | 1.44 | 1.44 | null | null | null | has coordinates | Lin, P.; Huang, Q.; Sheng, T.; Wu, X.
The Heterotrimetallic Linear Complex Tetraethylammonium Dibromo-2κ^2^<i>Br</i>-tetra-μ-sulfido-1:2κ^4^<i>S</i>;1:3κ^4^<i>S</i>-bis(triphenylphosphine-3κ<i>P</i>)-2-iron-3-silver-1-tungsten, [Et~4~N][Br~2~FeS~2~WS~2~Ag(PPh~3~)~2~]
Acta Crystallographica Section C
52(1)
(1996)
27-29 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,285 | 64.12 | 0.03 | 9.195 | 0.004 | 17.28 | 0.02 | 90 | null | 93.63 | 0.05 | 90 | null | 10,168 | 13 | 296.2 | null | 296.2 | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C16 H38 Mo P2 S4 - | - C16 H38 Mo P2 S4 - | - C256 H608 Mo16 P32 S64 - | 16 | 2 | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi | Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr | Inorganic Chemistry | 1,999 | 38 | 4549 | 4553 | 10.1021/ic990435r | 0.7107 | MoKα | 0.0727 | 0.0581 | null | null | 0.0697 | 0.0737 | null | null | null | null | null | 1.383 | null | null | has coordinates | Yasuhiro Arikawa; Hiroyuki Kawaguchi; Kazuo Kashiwabara; Kazuyuki Tatsumi
Synthesis of Bis{(2-dimethylphosphino)ethane-1-thiolato}bis(tert-butylthiolato)- molybdenum(IV) and Its Cluster-Forming Reactions with FeCl2 and CuBr
Inorganic Chemistry
38
(1999)
4549-4553 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,405 | 9.019 | 0.002 | 9.986 | 0.001 | 11.599 | 0.002 | 65.32 | 0.01 | 71.77 | 0.01 | 71.57 | 0.01 | 880.5 | 0.3 | 300 | 2 | 300 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | bis[aqua-3,3'-iminobispropylamine)copper(II)] pyromellitate octahydrate | mu-(1,2,4,5-benzenetetracarboxylato)bis[aqua(1,7-diamino-4-aza- heptane)copper(II)] octahydrate | - C22 H56 Cu2 N6 O18 - | - C22 H56 Cu2 N6 O18 - | - C22 H56 Cu2 N6 O18 - | 1 | 0.5 | KH1050 | Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z. | A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex | Acta Crystallographica Section C | 1,996 | 52 | 1 | 43 | 45 | 10.1107/S0108270195010444 | 0.71073 | MoKα | 0.0366 | 0.0323 | null | 0.0856 | 0.0836 | null | null | null | 1.115 | 1.154 | 1.154 | null | null | null | has coordinates | Chen, W.; Tioh, N. H.; Zou, J.-Z.; Xu, Z.; You, X.-Z.
A Tetracarboxylatobenzene-Bridged Binuclear Copper(II) Complex
Acta Crystallographica Section C
52(1)
(1996)
43-45 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,406 | 6.903 | 0.001 | 22.275 | 0.002 | 14.6622 | 0.0009 | 90 | null | 95.722 | 0.011 | 90 | null | 2,243.3 | 0.4 | 150 | 1 | 150 | 1 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,2,3,4,6,7,8,9,11,12,13,14-dodecahydro-1,6,14-trioxo- benzo[b]benzo[4,5]furo[3,2-d]oxoninium hydroxide | - C24 H31.5 O5.43 - | - C24 H31.41 O5.41 - | - C96 H125.64 O21.64 - | 4 | 1 | LI1137 | Barnes, J. C. | A Trimer from 5,5-Dimethylcyclohexan-1,3-dione Containing an O-Protonated Furan Ring | Acta Crystallographica Section C | 1,996 | 52 | 1 | 262 | 264 | 10.1107/S0108270195009279 | 0.71069 | MoKα | 0.0847 | 0.056 | null | 0.157 | 0.1328 | null | null | null | 0.85 | 1.006 | 1.006 | null | null | null | has coordinates | Barnes, J. C.
A Trimer from 5,5-Dimethylcyclohexan-1,3-dione Containing an O-Protonated Furan Ring
Acta Crystallographica Section C
52(1)
(1996)
262-264 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004406.cif $
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2,004,407 | 7.336 | 0.001 | 7.401 | 0.002 | 10.408 | 0.004 | 90 | null | 93.34 | 0.02 | 90 | null | 564.1 | 0.3 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/a 1 | -P 2yab | 14 | - C6 H10 Cd Cl4 N2 - | - C6 H10 Cd Cl4 N2 - | - C12 H20 Cd2 Cl8 N4 - | 2 | 0.5 | MU1132 | Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y. | The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 33 | 35 | 10.1107/S0108270195007797 | 0.71069 | MoKα | null | 0.055 | null | null | 0.064 | null | null | null | null | 2.45 | 2.45 | null | null | null | has coordinates | Ye, Q.; Meng, Q.-J.; You, X.-Z.; Huang, X.-Y.
The Intercalation Compound 1,4-Benzenediammonium Tetrachlorocadmate(II)
Acta Crystallographica Section C
52(1)
(1996)
33-35 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004407.cif $
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2,004,408 | 9.461 | 0.004 | 12.298 | 0.006 | 12.603 | 0.006 | 90 | null | 98.6 | 0.03 | 90 | null | 1,449.9 | 1.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 2-(phosphonomethyl)acrylic acid hemihydrate | 2-(phosphonomethyl)acrylic acid hemihydrate | - C4 H8 O0.5 P - | - C4 H8 O5.5 P - | - C32 H64 O44 P8 - | 8 | 2 | MU1185 | Weichsel, A.; Lis, T. | 2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 97 | 101 | 10.1107/S0108270195009802 | 0.71069 | MoKα | 0.0386 | 0.0377 | null | 0.1053 | 0.1041 | null | null | null | 1.087 | 1.09 | 1.09 | null | null | null | has coordinates | Weichsel, A.; Lis, T.
2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)
Acta Crystallographica Section C
52(1)
(1996)
97-101 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004408.cif $
#-------------------------------------------------------------------... | |||||||||
2,004,409 | 6.324 | 0.003 | 7.71 | 0.003 | 16.444 | 0.006 | 90 | null | 91.52 | 0.03 | 90 | null | 801.5 | 0.6 | 296 | 2 | 296 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | ammonium 2-(phosphonomethyl)acrylate | ammonium 2-(phosphonomethyl)acrylate | - C4 H10 N O5 P - | - C4 H10 N O5 P - | - C16 H40 N4 O20 P4 - | 4 | 1 | MU1185 | Weichsel, A.; Lis, T. | 2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 97 | 101 | 10.1107/S0108270195009802 | 0.71069 | MoKα | 0.0696 | 0.038 | null | 0.1186 | 0.1017 | null | null | null | 1.051 | 1.092 | 1.092 | null | null | null | has coordinates | Weichsel, A.; Lis, T.
2-(Phosphonomethyl)acrylic Acid Hemihydrate and Ammonium 2-(Phosphonomethyl)acrylate: Analogues of Phosphoenolpyruvate (PEP)
Acta Crystallographica Section C
52(1)
(1996)
97-101 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004409.cif $
#-------------------------------------------------------------------... | |||||||||
4,322,284 | 11.978 | 0.0002 | 12.6417 | 0.0003 | 24.5404 | 0.0006 | 83.324 | 0.001 | 88.488 | 0.001 | 85.038 | 0.001 | 3,676.43 | 0.14 | 185 | 2 | 185 | 2 | null | null | null | null | synthetic | 5 | P -1 | -P 1 | 2 | Gallium TRENIAM | Gallium(III)[tris(2-hydroxyisophthalylmethylamide)-2-aminoethyl]amine | - C35.35 H41 Ga N7 O10.35 - | - C35.35 H41 Ga N7 O10.35 - | - C141.4 H164 Ga4 N28 O41.4 - | 4 | 2 | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond | A Novel Salicylate-Based Macrobicycle with a "Split Personality" | Inorganic Chemistry | 1,999 | 38 | 4522 | 4529 | 10.1021/ic990411k | 0.71073 | MoKα | 0.1319 | 0.0752 | null | 0.1795 | 0.1486 | null | null | null | 1.083 | 1.153 | 1.153 | null | null | null | has coordinates | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
A Novel Salicylate-Based Macrobicycle with a "Split Personality"
Inorganic Chemistry
38
(1999)
4522-4529 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-03-23 15:23:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179325 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322284.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,410 | 15.275 | 0.002 | 9.588 | 0.004 | 17.717 | 0.002 | 90 | null | 106.78 | 0.01 | 90 | null | 2,484.3 | 1.1 | 296 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C20 H22 N Ni S8 - | - C20 H22 N Ni S8 - | - C80 H88 N4 Ni4 S32 - | 4 | 1 | MU1192 | Zuo, J.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y. | <i>N</i>-Methylquinolinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato)nickelate(III) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 46 | 48 | 10.1107/S0108270195009838 | 0.71069 | MoKα | null | 0.056 | null | null | 0.068 | null | null | null | null | 1.78 | 1.78 | null | null | null | has coordinates | Zuo, J.-L.; Xiong, R.-G.; You, X.-Z.; Huang, X.-Y.
<i>N</i>-Methylquinolinium Bis(6,7-dihydro-5<i>H</i>-1,4-dithiepine-2,3-dithiolato)nickelate(III)
Acta Crystallographica Section C
52(1)
(1996)
46-48 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004410.cif $
#-------------------------------------------------------------------... | |||||||||||
2,004,411 | 20.96 | 0.013 | 13.809 | 0.013 | 14.503 | 0.008 | 90 | null | 94.151 | 0.014 | 90 | null | 4,187 | 5 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | mer-Bis[2,6-bis(1-phenyliminoethylpyridine)-N,N',N"]copper(II) diperchlorate | - C42 H38 Cl2 Cu N6 O8 - | - C42 H38 Cl2 Cu N6 O8 - | - C168 H152 Cl8 Cu4 N24 O32 - | 4 | 1 | MU1197 | Blake, A. J.; Lavery, A. J.; Schröder, M. | <i>mer</i>-Bis[2,6-bis(1-phenyliminoethyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Diperchlorate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 37 | 39 | 10.1107/S0108270195009851 | 0.71073 | MoKα | 0.219 | 0.0943 | null | 0.2258 | 0.171 | null | null | null | 0.894 | 1.288 | 1.288 | null | null | null | has coordinates,has Fobs | Blake, A. J.; Lavery, A. J.; Schröder, M.
<i>mer</i>-Bis[2,6-bis(1-phenyliminoethyl)pyridine-<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) Diperchlorate
Acta Crystallographica Section C
52(1)
(1996)
37-39 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004411.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,412 | 4.5834 | 0.0005 | 11.6598 | 0.0008 | 12.0208 | 0.0009 | 65.239 | 0.006 | 84.621 | 0.008 | 89.296 | 0.008 | 580.52 | 0.09 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | S-methyl β-N-(4-methoxyphenyl)methylendithiocarbazate | - C10 H12 N2 O S2 - | - C10 H12 N2 O S2 - | - C20 H24 N4 O2 S4 - | 2 | 1 | MU1198 | Fun, H.-K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z. | Methyl 3-(4-Methoxyphenylmethylene)dithiocarbazate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 87 | 89 | 10.1107/S0108270195009899 | 0.71073 | MoKα | 0.0494 | 0.0326 | null | 0.0869 | 0.0817 | null | null | null | 0.925 | 1.037 | 1.037 | null | null | null | has coordinates | Fun, H.-K.; Yip, B.-C.; Tian, Y.-P.; Duan, C.-Y.; Lu, Z.-L.; You, X.-Z.
Methyl 3-(4-Methoxyphenylmethylene)dithiocarbazate
Acta Crystallographica Section C
52(1)
(1996)
87-89 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004412.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,413 | 10.888 | 0.001 | 9.381 | 0.001 | 26.597 | 0.003 | 90 | null | 90 | null | 90 | null | 2,716.6 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | 1,3-dibenzylthiourea. | - C15 H16 N2 S - | - C15 H16 N2 S - | - C120 H128 N16 S8 - | 8 | 1 | MU1200 | Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K. | 1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea | Acta Crystallographica Section C | 1,996 | 52 | 1 | 139 | 142 | 10.1107/S0108270195009875 | 0.71073 | MoKα | 0.0537 | 0.0395 | null | 0.114 | 0.1064 | null | null | null | 1.032 | 1.117 | 1.117 | null | null | null | has coordinates | Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.
1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea
Acta Crystallographica Section C
52(1)
(1996)
139-142 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004413.cif $
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2,004,414 | 12.611 | 0.002 | 11.224 | 0.001 | 10.435 | 0.001 | 90 | null | 110.7 | 0.01 | 90 | null | 1,381.7 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | 1,3-dicyclohexyl thiourea. | - C13 H24 N2 S - | - C13 H24 N2 S - | - C52 H96 N8 S4 - | 4 | 1 | MU1200 | Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K. | 1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea | Acta Crystallographica Section C | 1,996 | 52 | 1 | 139 | 142 | 10.1107/S0108270195009875 | 0.71073 | MoKα | 0.0613 | 0.0367 | null | 0.0919 | 0.0853 | null | null | null | 0.897 | 1.039 | 1.039 | null | null | null | has coordinates | Ramnathan, A.; Sivakumar, K.; Subramanian, K.; Meerarani, D.; Ramadas, K.; Fun, H.-K.
1,3-Dibenzylthiourea and 1,3-Dicyclohexylthiourea
Acta Crystallographica Section C
52(1)
(1996)
139-142 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004414.cif $
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2,004,415 | 31.26 | 0.03 | 7.5 | 0.011 | 15.79 | 0.014 | 90 | null | 99.78 | 0.07 | 90 | null | 3,648 | 7 | 150 | 0.2 | 150 | 0.2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 4-(4-n-heptylbenzoyloxy)benzoic acid | - C21 H24 O4 - | - C21 H23 O4 - | - C168 H184 O32 - | 8 | 2 | MU1202 | Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W. | 4-(4-<i>n</i>-Heptylbenzoyloxy)benzoic Acid | Acta Crystallographica Section C | 1,996 | 52 | 1 | 194 | 197 | 10.1107/S0108270195009863 | 0.71073 | MoKα | 0.2666 | 0.1078 | null | 0.35 | 0.2345 | null | null | null | 1.051 | 1.422 | 1.422 | null | null | null | has coordinates,has Fobs | Blake, A. J.; Fallis, I. A.; Parsons, S.; Schröder, M.; Bruce, D. W.
4-(4-<i>n</i>-Heptylbenzoyloxy)benzoic Acid
Acta Crystallographica Section C
52(1)
(1996)
194-197 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-10-13 03:08:28 +0300 (Fri, 13 Oct 2017) $
#$Revision: 201955 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004415.cif $
#-------------------------------------------------------------------... | ||||||||||
2,004,416 | 9.812 | 0.009 | 5.038 | 0.003 | 7.778 | 0.007 | 90 | null | 111.95 | 0.09 | 90 | null | 356.6 | 0.6 | 80 | 2 | 80 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | disodium D-3-phosphoglycerate | - C3 H5 Na2 O7 P - | - C3 H5 Na2 O7 P - | - C6 H10 Na4 O14 P2 - | 2 | 1 | MU1203 | Lis, T.; Jerzykiewicz, L. B. | Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K | Acta Crystallographica Section C | 1,996 | 52 | 1 | 129 | 134 | 10.1107/S0108270195009905 | 0.71069 | MoKα | 0.0235 | 0.0205 | null | 0.0569 | 0.055 | null | null | null | 1.077 | 1.067 | 1.067 | null | null | null | has coordinates | Lis, T.; Jerzykiewicz, L. B.
Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K
Acta Crystallographica Section C
52(1)
(1996)
129-134 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004416.cif $
#-------------------------------------------------------------------... | ||||||||||
4,322,283 | 12.0203 | 0.0004 | 12.6996 | 0.0004 | 24.6435 | 0.0008 | 83.146 | 0.001 | 88.531 | 0.001 | 85.282 | 0.001 | 3,721.9 | 0.2 | 171 | 2 | 171 | 2 | null | null | null | null | synthetic | 5 | P -1 | -P 1 | 2 | Ferric TRENIAM | Ferric(III)[tris(2-hydroxyisophthalylmethylamide)-2-aminoethyl]amine | - C35.5 H41 Fe N7 O10 - | - C35.5 H41 Fe N7 O10 - | - C142 H164 Fe4 N28 O40 - | 4 | 2 | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond | A Novel Salicylate-Based Macrobicycle with a "Split Personality" | Inorganic Chemistry | 1,999 | 38 | 4522 | 4529 | 10.1021/ic990411k | 0.71073 | MoKα | 0.0758 | 0.0568 | null | 0.1487 | 0.1264 | null | null | null | 1.156 | 1.097 | 1.097 | null | null | null | has coordinates | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
A Novel Salicylate-Based Macrobicycle with a "Split Personality"
Inorganic Chemistry
38
(1999)
4522-4529 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322283.cif $
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2,004,417 | 12.427 | 0.005 | 6.556 | 0.003 | 13.085 | 0.005 | 90 | null | 94.64 | 0.06 | 90 | null | 1,062.6 | 0.8 | 85 | 2 | 85 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | bis(cyclohexylammonium) D-3-phosphoglycerate dihydrate | - C15 H37 N2 O9 P - | - C15 H37 N2 O9 P - | - C30 H74 N4 O18 P2 - | 2 | 1 | MU1203 | Lis, T.; Jerzykiewicz, L. B. | Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K | Acta Crystallographica Section C | 1,996 | 52 | 1 | 129 | 134 | 10.1107/S0108270195009905 | 0.71069 | MoKα | 0.0494 | 0.0295 | null | 0.0764 | 0.0699 | null | null | null | null | 1.094 | 1.094 | null | null | null | has coordinates | Lis, T.; Jerzykiewicz, L. B.
Disodium <small>D</small>-3-Phosphoglycerate (a Reinvestigation at 80 K) and Bis(cyclohexylammonium) <small>D</small>-3-Phosphoglycerate Dihydrate at 85 K
Acta Crystallographica Section C
52(1)
(1996)
129-134 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004417.cif $
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2,004,418 | 34.138 | 0.013 | 7.3857 | 0.0011 | 6.072 | 0.007 | 90 | null | 123.04 | 0.03 | 90 | null | 1,283.4 | 1.6 | 295 | null | 295 | null | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 1,4-Didecyloxybenzene | - C26 H46 O2 - | - C26 H46 O2 - | - C52 H92 O4 - | 2 | 0.5 | MU1205 | Kooijman, H.; Spek, A. L.; Keegstra, E. M. D.; Zwikker, J. W.; Jenneskens, L. W. | Attractive Edge–Face Arene–Arene Interactions in Combination with Close Packing of Alkoxy Chains for 1,4-Didecyloxybenzene | Acta Crystallographica Section C | 1,996 | 52 | 1 | 85 | 87 | 10.1107/S0108270195010766 | 1.54184 | CuKα | null | 0.0681 | null | 0.136 | 0.136 | null | null | null | 1.823 | 1.823 | 1.823 | null | null | null | has coordinates | Kooijman, H.; Spek, A. L.; Keegstra, E. M. D.; Zwikker, J. W.; Jenneskens, L. W.
Attractive Edge–Face Arene–Arene Interactions in Combination with Close Packing of Alkoxy Chains for 1,4-Didecyloxybenzene
Acta Crystallographica Section C
52(1)
(1996)
85-87 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004418.cif $
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2,004,419 | 13.224 | 0.002 | 10.058 | 0.001 | 17.423 | 0.002 | 90 | null | 90 | null | 90 | null | 2,317.4 | 0.5 | 293 | null | null | null | null | null | null | null | 5 | P b c n | -P 2n 2ab | 60 | - C26 H16 Cu N6 S2 - | - C26 H16 Cu N6 S2 - | - C104 H64 Cu4 N24 S8 - | 4 | 0.5 | MU1208 | Parker, O. J.; Aubol, S. L.; Breneman, G. L. | <i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~] | Acta Crystallographica Section C | 1,996 | 52 | 1 | 39 | 41 | 10.1107/S0108270195009887 | 0.71073 | MoKα | null | 0.04 | null | null | 0.07 | null | null | null | null | 2.48 | 2.48 | null | null | null | has coordinates | Parker, O. J.; Aubol, S. L.; Breneman, G. L.
<i>cis</i>-Diisothiocyanatobis(1,10-phenanthroline)copper(II), [Cu(NCS)~2~(C~12~H~8~N~2~)~2~]
Acta Crystallographica Section C
52(1)
(1996)
39-41 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/2/00/44/2004419.cif $
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4,322,282 | 11.1144 | 0.0002 | 22.8382 | 0.0004 | 19.4525 | 0.0004 | 90 | null | 99.247 | 0.001 | 90 | null | 4,873.52 | 0.16 | 137 | 2 | 137 | 2 | null | null | null | null | synthetic | 6 | P 1 21/n 1 | -P 2yn | 14 | Gallium Macrobicyclic TRENSAM | - C46 H62 Cl Ga N10 O15.3 - | - C46 H62 Cl Ga N10 O15.3 - | - C184 H248 Cl4 Ga4 N40 O61.2 - | 4 | 1 | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond | A Novel Salicylate-Based Macrobicycle with a "Split Personality" | Inorganic Chemistry | 1,999 | 38 | 4522 | 4529 | 10.1021/ic990411k | 0.71073 | MoKα | 0.0758 | 0.0573 | null | 0.1551 | 0.1414 | null | null | null | 1.111 | 1.141 | 1.141 | null | null | null | has coordinates | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
A Novel Salicylate-Based Macrobicycle with a "Split Personality"
Inorganic Chemistry
38
(1999)
4522-4529 | 301,838 | 2025-08-20 | 22:17:37 | #------------------------------------------------------------------------------
#$Date: 2025-08-21 01:01:10 +0300 (Thu, 21 Aug 2025) $
#$Revision: 301838 $
#$URL: file:///home/coder/svn-repositories/_RELOADED_COD/cod-reloaded/cif/4/32/22/4322282.cif $
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2,004,420 | 19.929 | 0.004 | 10.855 | 0.003 | 18.334 | 0.004 | 90 | null | 117.28 | 0.03 | 90 | null | 3,525.1 | 1.7 | 293 | 2 | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C14 H21 Cl Co N5 O4 - | - C14 H19 Cl Co N5 O4 - | - C112 H152 Cl8 Co8 N40 O32 - | 8 | 2 | NA1144 | Solans, X.; Font-Bardia, M.; López, C.; Alvarez, S. | Anhydrous <i>trans</i>-(Aniline)chlorobis(dimethylglyoximato)cobalt(III) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 63 | 66 | 10.1107/S0108270195009644 | 0.71069 | MoKα | null | 0.041 | null | null | 0.095 | null | null | null | null | 0.936 | 0.936 | null | null | null | has coordinates | Solans, X.; Font-Bardia, M.; López, C.; Alvarez, S.
Anhydrous <i>trans</i>-(Aniline)chlorobis(dimethylglyoximato)cobalt(III)
Acta Crystallographica Section C
52(1)
(1996)
63-66 | 190,732 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-01-19 18:22:45 +0200 (Thu, 19 Jan 2017) $
#$Revision: 190732 $
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2,004,421 | 15.51 | 0.01 | 15.178 | 0.005 | 25.66 | 0.03 | 90 | null | 106.9 | 0.1 | 90 | null | 5,780 | 9 | 293 | null | 293 | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | catena-(tris{μ-2,5-bis[2-(2'-pyridyl)- ethynyl]thiophene-N,N'-dinitratocobalt(II)}) | - C54 H30 Co3 N12 O18 S3 - | - C54 H30 Co3 N12 O18 S3 - | - C216 H120 Co12 N48 O72 S12 - | 4 | 1 | NA1163 | Driessen, W. L.; Neenan, T. X. | <i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 59 | 61 | 10.1107/S0108270195008535 | 0.71073 | MoKα | 0.165 | 0.06 | null | 0.064 | 0.056 | null | null | null | 1.617 | 2.271 | 2.271 | null | null | null | has coordinates | Driessen, W. L.; Neenan, T. X.
<i>catena</i>-Poly[dinitratocobalt(II)-μ-2,5-bis{2-(2-pyridyl)ethynyl}thiophene-<i>N</i>:<i>N</i>'], [Co(NO~3~)~2~(C~18~H~10~N~2~S)]~3~
Acta Crystallographica Section C
52(1)
(1996)
59-61 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,422 | 3.979 | 0.001 | 10.8 | 0.002 | 18.713 | 0.005 | 90 | null | 90.71 | 0.03 | 90 | null | 804.1 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C8 H9 N O3 - | - C8 H9 N O3 - | - C32 H36 N4 O12 - | 4 | 1 | NA1176 | Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N. | 5-Ethoxy-1,2-benzoquinone 2-Oxime | Acta Crystallographica Section C | 1,996 | 52 | 1 | 153 | 155 | 10.1107/S0108270195007141 | 1.54184 | CuKα | null | 0.066 | null | null | 0.057 | null | null | null | null | 0.981 | 0.981 | null | null | null | has coordinates | Carugo, O.; Charalambous, J.; Raghvani, D. V.; Sardone, N.
5-Ethoxy-1,2-benzoquinone 2-Oxime
Acta Crystallographica Section C
52(1)
(1996)
153-155 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,423 | 7.524 | 0.002 | 14.819 | 0.003 | 11.763 | 0.002 | 90 | null | 107.26 | 0.03 | 90 | null | 1,252.5 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | Methyl 21-acetoxy-11β-hydroxy-1,4-pregnadiene-(22S)-16α,17α-orthoacetate | - C26 H34 O8 - | - C26 H34 O8 - | - C52 H68 O16 - | 2 | 1 | NA1177 | Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T. | (22<i>S</i>)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione | Acta Crystallographica Section C | 1,996 | 52 | 1 | 212 | 215 | 10.1107/S0108270195009589 | 1.54178 | CuKα | 0.0514 | 0.0475 | null | 0.1355 | 0.132 | null | null | null | 1.052 | 1.067 | 1.067 | null | null | null | has coordinates | Pniewska, B.; Anulewicz, R.; Uszycka-Horawa, T.
(22<i>S</i>)-21-Acetoxy-11β-hydroxy-16α,17α-methylorthoacetoxypregna-1,4-diene-3,20-dione
Acta Crystallographica Section C
52(1)
(1996)
212-215 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,424 | 5.916 | 0.001 | 13.112 | 0.003 | 20.253 | 0.004 | 90 | null | 90 | null | 90 | null | 1,571 | 0.5 | 223 | 2 | 223 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | (Z)-N-[(2S)-2-(tert-butoxycarbonylamino)propylidene]benzylamine N-oxide | - C15 H22 N2 O3 - | - C15 H22 N2 O3 - | - C60 H88 N8 O12 - | 4 | 1 | NA1197 | Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A. | Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide | Acta Crystallographica Section C | 1,996 | 52 | 1 | 218 | 219 | 10.1107/S0108270195009358 | 0.71073 | MoKα | 0.0524 | 0.0416 | null | 0.1078 | 0.0999 | null | null | null | 1.07 | 1.078 | 1.078 | null | null | null | has coordinates | Merino, P.; Merchan, F. L.; Tejero, T.; Lanaspa, A.
Structures of Chiral Nitrones. II. (<i>Z</i>)-<i>N</i>-[(2<i>S</i>)-2-(<i>tert</i>-Butoxycarbonylamino)propylidene]benzylamine <i>N</i>-Oxide
Acta Crystallographica Section C
52(1)
(1996)
218-219 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,281 | 10.7156 | 0.0002 | 23.1049 | 0.0001 | 19.8373 | 0.0003 | 90 | null | 98.829 | 0.001 | 90 | null | 4,853.18 | 0.12 | 157 | 2 | 157 | 2 | null | null | null | null | synthetic | 6 | P 1 21/n 1 | -P 2yn | 14 | Ferric Macrobicyclic TRENSAM | - C36 H39 Br4 Fe2 N8 O9 - | - C46.79 H54 Br Fe N10 O11.71 - | - C187.16 H216 Br4 Fe4 N40 O46.84 - | 4 | 1 | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond | A Novel Salicylate-Based Macrobicycle with a "Split Personality" | Inorganic Chemistry | 1,999 | 38 | 4522 | 4529 | 10.1021/ic990411k | 0.71073 | MoKα | 0.0886 | 0.059 | null | 0.1474 | 0.1278 | null | null | null | 1.133 | 1.15 | 1.15 | null | null | null | has coordinates | Seth M. Cohen; Stéphane Petoud; Kenneth N. Raymond
A Novel Salicylate-Based Macrobicycle with a "Split Personality"
Inorganic Chemistry
38
(1999)
4522-4529 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,425 | 6.199 | 0.003 | 6.199 | 0.003 | 19.859 | 0.006 | 90 | null | 90 | null | 120 | null | 660.9 | 0.5 | 293 | null | null | null | null | null | null | null | 3 | P -6 c 2 | P -6c 2 | 188 | - Dy O19 Ta7 - | - Dy0.1667 O14.8332 Ta6.1667 - | - Dy0.3334 O29.6664 Ta12.3334 - | 2 | 0.166667 | OH1087 | Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E. | Dysprosium Tantalum Oxide, DyTa~7~O~19~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 5 | 7 | 10.1107/S0108270195010353 | 0.71069 | MoKα | null | 0.0471 | null | null | 0.0548 | null | null | null | null | 1.23 | 1.23 | null | null | null | has coordinates | Guo, G.-C.; Zhuang, J.-N.; Wang, Y.-G.; Chen, J.-T.; Zhuang, H.-H.; Huang, J.-S.; Zhang, Q.-E.
Dysprosium Tantalum Oxide, DyTa~7~O~19~
Acta Crystallographica Section C
52(1)
(1996)
5-7 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,004,426 | 6.798 | 0.004 | 13.675 | 0.008 | 9.722 | 0.007 | 90 | null | 99.72 | 0.04 | 90 | null | 890.8 | 1 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C22 H19 N O - | - C22 H19 N O - | - C44 H38 N2 O2 - | 2 | 1 | PA1165 | Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D. | <i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone | Acta Crystallographica Section C | 1,996 | 52 | 1 | 201 | 203 | 10.1107/S0108270195004598 | 1.54184 | CuKα | null | 0.068 | null | null | 0.078 | null | null | null | null | 1.448 | 1.448 | null | null | null | has coordinates | Mousser, A.; Badeche, S.; Merazig, H.; Benhaoua, H.; Ait Sidhoum, D.
<i>N</i>-Benzyl-3,4-diphenyl-2-azetidinone
Acta Crystallographica Section C
52(1)
(1996)
201-203 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,427 | 8.818 | 0.002 | 10.875 | 0.001 | 12.023 | 0.002 | 110.45 | 0.01 | 92.53 | 0.02 | 107.3 | 0.01 | 1,017.2 | 0.3 | 293 | null | 293 | null | null | null | null | null | 5 | P 1 | P 1 | 1 | 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10) anthracenophane, (HClO~4~)~2~,C~6~H~5~CH~3~ | - C39 H54 Cl2 N2 O12 - | - C39 H52 Cl2 N2 O12 - | - C39 H52 Cl2 N2 O12 - | 1 | 1 | PA1177 | Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F. | Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 113 | 116 | 10.1107/S0108270195007979 | 1.54178 | CuKα | null | 0.06 | null | null | 0.048 | null | null | null | null | 1.47 | 1.47 | null | null | null | has coordinates | Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F.
Molecular, Crystal Structure and Fluorescence Emission Properties of Diprotonated 7,10,19,22-Tetraoxa-4,13-diaza[16.8^4,13^](9,10)anthracenophane (<i>A</i>~33~.2H^+^)
Acta Crystallographica Section C
52(1)
(1996)
113-116 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176435 $
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2,004,428 | 23.093 | 0.009 | 25.688 | 0.01 | 6.05 | 0.002 | 90 | null | 97.16 | 0.04 | 90 | null | 3,561 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | 1-{[4-(4-bromophényl)]-3-butène-2-one-1-yl}-2-{[3-(2,6,6-triméthyl-1- cyclohexène-1-yl)]-2-propène-1-one-1-yl}-3-[(4-bromophényl)-1-yl]- 1,2,3,4,5,6,7,8-octahydro-8,8-diméthyl-naphtalène | - C40 H46 Br2 O2 - | - C40 H46 Br2 O2 - | - C160 H184 Br8 O8 - | 4 | 1 | PA1183 | Ginderow, D. | 3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène | Acta Crystallographica Section C | 1,996 | 52 | 1 | 256 | 259 | 10.1107/S0108270195008985 | 1.5418 | CuKα | 0.0704 | 0.0517 | null | 0.1694 | 0.1452 | null | null | null | 1.083 | 1.083 | 1.083 | null | null | null | has coordinates,has disorder | Ginderow, D.
3-(4-Bromophényl)-1-[4-(4-bromophényl)-3-butène-2-one-1-yl]-2-[3-(2,6,6-triméthyl-1-cyclohexène-1-yl)-2-propène-1-one-1-yl]-1,2,3,4,5,6,7,8-octahydro-8,8-diméthylnaphtalène
Acta Crystallographica Section C
52(1)
(1996)
256-259 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,429 | 12.661 | 0.003 | 16.54 | 0.005 | 9.677 | 0.002 | 90 | null | 101.57 | 0.02 | 90 | null | 1,985.3 | 0.9 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H29 N O - | - C24 H29 N O - | - C96 H116 N4 O4 - | 4 | 1 | PA1188 | Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M. | Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one | Acta Crystallographica Section C | 1,996 | 52 | 1 | 207 | 210 | 10.1107/S0108270195009036 | 0.71073 | MoKα | null | 0.057 | null | null | 0.056 | null | null | null | null | 1.34 | 1.34 | null | null | null | has coordinates | Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.
Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one
Acta Crystallographica Section C
52(1)
(1996)
207-210 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,430 | 7.15 | 0.001 | 12.214 | 0.002 | 10.944 | 0.001 | 90 | null | 101.2 | 0.01 | 90 | null | 937.5 | 0.2 | 294 | null | null | null | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | - C22 H22 F3 N O - | - C22 H22 F3 N O - | - C44 H44 F6 N2 O2 - | 2 | 1 | PA1188 | Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M. | Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one | Acta Crystallographica Section C | 1,996 | 52 | 1 | 207 | 210 | 10.1107/S0108270195009036 | 0.71073 | MoKα | null | 0.059 | null | null | 0.061 | null | null | null | null | 0.87 | 0.87 | null | null | null | has coordinates | Nogue, D.; Paugam, R.; Wartski, L.; Nierlich, M.; Vigner, D.; Lance, M.
Two <i>cis</i> Ring-Fused <i>exo</i> <i>N</i>-Aryl Heterocycles: 1-Phenyl-2-(2,4,6-trimethylphenyl)decahydroquinolin-4-one and 1-(4-Trifluoromethylphenyl)-2-phenyldecahydroquinolin-4-one
Acta Crystallographica Section C
52(1)
(1996)
207-210 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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4,322,280 | 9.2801 | 0.0008 | 9.2801 | 0.0008 | 35.833 | 0.007 | 90 | null | 90 | null | 120 | null | 2,672.5 | 0.6 | 293 | null | null | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | - K2 Mo9 S11 - | - K1.776 Mo9 S11 - | - K10.656 Mo54 S66 - | 6 | 0.166667 | Soazig Picard; Patrick Gougeon; Michel Potel | Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters | Inorganic Chemistry | 1,999 | 38 | 4422 | 4429 | 10.1021/ic990362b | x-ray | 0.71073 | MoKα | 0.0455 | 0.0219 | null | 0.0223 | 0.0215 | null | null | null | 1.71 | 1.96 | 1.96 | null | null | null | has coordinates | Soazig Picard; Patrick Gougeon; Michel Potel
Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
Inorganic Chemistry
38
(1999)
4422-4429 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,431 | 6.547 | 0.002 | 7.057 | 0.003 | 9.687 | 0.004 | 107.48 | 0.03 | 102.07 | 0.03 | 102.23 | 0.03 | 398.9 | 0.3 | 155 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C10 H6 O3 - | - C10 H6 O3 - | - C20 H12 O6 - | 2 | 1 | PT1002 | Thomson, M. A.; Kar, M.; Anderson, O. P.; Lenz, T. G.; Vaughan, J. D. | 2-Phenylmaleic Anhydride | Acta Crystallographica Section C | 1,996 | 52 | 1 | 168 | 169 | 10.1107/S0108270195009620 | 0.71073 | MoKα | null | 0.049 | null | null | 0.074 | null | null | null | null | 1.207 | 1.207 | null | null | null | has coordinates | Thomson, M. A.; Kar, M.; Anderson, O. P.; Lenz, T. G.; Vaughan, J. D.
2-Phenylmaleic Anhydride
Acta Crystallographica Section C
52(1)
(1996)
168-169 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,432 | 5.774 | 0.001 | 40.748 | 0.006 | 10.648 | 0.001 | 90 | null | 99.053 | 0.009 | 90 | null | 2,474 | 0.6 | 297 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C14 H16 O3 - | - C14 H16 O3 - | - C112 H128 O24 - | 8 | 2 | PT1013 | Lalancette, R. A.; Coté, M. L.; Thompson, H. W. | (±)-<i>trans</i>-2-Benzoylcyclohexanecarboxylic Acid. Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid | Acta Crystallographica Section C | 1,996 | 52 | 1 | 244 | 246 | 10.1107/S0108270195010407 | 0.71073 | MoKα | null | 0.0531 | null | null | 0.063 | null | null | null | null | 1.56 | 1.56 | null | null | null | has coordinates | Lalancette, R. A.; Coté, M. L.; Thompson, H. W.
(±)-<i>trans</i>-2-Benzoylcyclohexanecarboxylic Acid. Structure and Hydrogen-Bonding Pattern of a γ-Keto Acid
Acta Crystallographica Section C
52(1)
(1996)
244-246 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,433 | 20.48 | 0.004 | 10.952 | 0.002 | 12.931 | 0.003 | 90 | null | 117.58 | 0.03 | 90 | null | 2,570.8 | 1.2 | 293 | null | null | null | null | null | null | null | 5 | C 1 2/c 1 | -C 2yc | 15 | - C18 H32 Br4 N6 O - | - C18 H32 Br4 N6 O - | - C72 H128 Br16 N24 O4 - | 4 | 0.5 | PT1017 | Nieslanik, B.; Duesler, E. N.; Miao, L.; Jackels, S. C.; Paine, R. T. | Pyo~2~[18]diene-N~6~.4HBr.H~2~O | Acta Crystallographica Section C | 1,996 | 52 | 1 | 205 | 207 | 10.1107/S0108270195009632 | 0.71073 | MoKα | null | 0.0596 | null | null | 0.0582 | null | null | null | null | 0.99 | 0.99 | null | null | null | has coordinates | Nieslanik, B.; Duesler, E. N.; Miao, L.; Jackels, S. C.; Paine, R. T.
Pyo~2~[18]diene-N~6~.4HBr.H~2~O
Acta Crystallographica Section C
52(1)
(1996)
205-207 | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,434 | 9.375 | 0.005 | 20.676 | 0.005 | 8.866 | 0.005 | 90 | null | 90 | null | 90 | null | 1,718.6 | 1.4 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | 1,2:3,4-Di-O-isopropylidene-6-O-methacryloyl-a-D-galactopyranose | - C16 H24 O7 - | - C16 H24 O7 - | - C64 H96 O28 - | 4 | 1 | SX1002 | Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J. | Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose | Acta Crystallographica Section C | 1,996 | 52 | 1 | 155 | 158 | 10.1107/S0108270195009991 | 1.54178 | CuKα | 0.0868 | 0.0406 | null | 0.1239 | 0.1032 | null | null | null | 1.026 | 1.079 | 1.079 | null | null | null | has coordinates | Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.
Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranos... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,435 | 7.275 | 0.002 | 8.945 | 0.002 | 13.486 | 0.002 | 90 | null | 97.148 | 0.015 | 90 | null | 870.8 | 0.3 | 173 | 2 | 173 | 2 | null | null | null | null | 3 | P 1 21 1 | P 2yb | 4 | 1,2:5,6-di-O-isopropylidene-3-O-methacryloyl-a-D-glucofuranose | - C16 H24 O7 - | - C16 H24 O7 - | - C32 H48 O14 - | 2 | 1 | SX1002 | Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J. | Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranose | Acta Crystallographica Section C | 1,996 | 52 | 1 | 155 | 158 | 10.1107/S0108270195009991 | 1.54178 | CuKα | 0.0414 | 0.0364 | null | 0.1043 | 0.0949 | null | null | null | 1.071 | 1.022 | 1.022 | null | null | null | has coordinates,has disorder | Ojala, W. H.; Gleason, W. B.; Connelly, M. P. E.; Wallis, R. R.; Kremer, J. J.
Polymerizable Methacrylate Carbohydrate Derivatives: 1,2:3,4-Di-<i>O</i>-isopropylidene-6-<i>O</i>-methacryloyl-α-<small>D</small>-galactopyranose and 1,2:5,6-Di-<i>O</i>-isopropylidene-3-<i>O</i>-methacryloyl-α-<small>D</small>-glucofuranos... | 301,791 | 2025-08-18 | 23:15:25 | #------------------------------------------------------------------------------
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2,004,436 | 7.121 | 0.004 | 35.583 | 0.007 | 5.238 | 0.004 | 90 | null | 90 | null | 90 | null | 1,327.2 | 1.3 | 296 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C13 H19 N O5 - | - C13 H14 N O5 - | - C52 H56 N4 O20 - | 4 | 1 | SZ1005 | Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J. | <i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal | Acta Crystallographica Section C | 1,996 | 52 | 1 | 252 | 254 | 10.1107/S0108270195011255 | 1.54178 | CuKα | null | 0.091 | null | null | 0.095 | null | null | null | null | 2.44 | 2.44 | null | null | null | has coordinates | Gomez de Anderez, D.; Gil, H.; Helliwell, M.; Mata Segreda, J.
<i>N</i>-(<i>p</i>-Tolyl)-amine-1-<small>D</small>-fructose from a Small Crystal
Acta Crystallographica Section C
52(1)
(1996)
252-254 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,437 | 9.851 | 0.001 | 10.563 | 0.002 | 12.933 | 0.003 | 90 | null | 90 | null | 90 | null | 1,345.8 | 0.4 | 292 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C15 H20 O4 - | - C15 H20 O4 - | - C60 H80 O16 - | 4 | 1 | SZ1016 | De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J. | Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde | Acta Crystallographica Section C | 1,996 | 52 | 1 | 117 | 118 | 10.1107/S0108270195010158 | 0.71073 | MoKα | null | 0.0452 | null | null | 0.0493 | null | null | null | null | 1.41 | 1.41 | null | null | null | has coordinates | De Simone, C. A.; Goulart, M. O. F.; Pereira, M. A.; Zukerman-Schpector, J.
Emmotin 2: (2<i>R</i>,3<i>S</i>)-2,6-Dihydroxy-3-(1-hydroxy-1-methylethyl)-8-methyl-1,2,3,4-tetrahydronaphthalene-5-carbaldehyde
Acta Crystallographica Section C
52(1)
(1996)
117-118 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,438 | 9.411 | 0.002 | 14.457 | 0.003 | 7.853 | 0.002 | 90 | null | 105.95 | 0.03 | 90 | null | 1,027.3 | 0.4 | 297 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C8 H13 N O5 - | - C8 H13 N O5 - | - C32 H52 N4 O20 - | 4 | 1 | SZ1021 | Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G. | <i>N</i>-Acetyliminodiacetate Dimethyl Ester | Acta Crystallographica Section C | 1,996 | 52 | 1 | 112 | 113 | 10.1107/S0108270195010225 | 0.71073 | MoKα | null | 0.0536 | null | null | 0.0603 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Prayzner, P.; Ojadi, E. C. A.; Golen, J. A.; Williard, P. G.
<i>N</i>-Acetyliminodiacetate Dimethyl Ester
Acta Crystallographica Section C
52(1)
(1996)
112-113 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,279 | 9.4215 | 0.0004 | 9.4215 | 0.0004 | 35.444 | 0.002 | 90 | null | 90 | null | 120 | null | 2,724.7 | 0.2 | 293 | null | null | null | null | null | null | null | 4 | R -3 c :H | -R 3 2"c | 167 | - Cu2 K1.8 Mo9 S11 - | - Cu2.04 K1.777 Mo9 S11 - | - Cu12.24 K10.662 Mo54 S66 - | 6 | 0.166667 | Soazig Picard; Patrick Gougeon; Michel Potel | Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters | Inorganic Chemistry | 1,999 | 38 | 4422 | 4429 | 10.1021/ic990362b | x-ray | 0.71073 | MoKα | 0.0453 | 0.0238 | null | 0.0222 | 0.0213 | null | null | null | 1.42 | 1.56 | 1.56 | null | null | null | has coordinates | Soazig Picard; Patrick Gougeon; Michel Potel
Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
Inorganic Chemistry
38
(1999)
4422-4429 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,439 | 9.83 | 0.002 | 9.239 | 0.002 | 19.654 | 0.002 | 90 | 0.01 | 96.11 | 0.01 | 90 | 0.01 | 1,774.8 | 0.6 | 294 | null | 294 | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | null | 1-trityl-4-nitroimidazole | - C22 H17 N3 O2 - | - C22 H17 N3 O2 - | - C88 H68 N12 O8 - | 4 | 1 | SZ1038 | Skrzypczak-Jankun, E.; Kurumbail, R. G. | 1-Trityl-4-nitroimidazole | Acta Crystallographica Section C | 1,996 | 52 | 1 | 189 | 191 | 10.1107/S0108270195010183 | 0.71073 | MoKα | 0.065 | 0.039 | null | null | 0.054 | null | null | null | null | 1.8 | 1.8 | null | null | null | has coordinates | Skrzypczak-Jankun, E.; Kurumbail, R. G.
1-Trityl-4-nitroimidazole
Acta Crystallographica Section C
52(1)
(1996)
189-191 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,440 | 7.3972 | 0.0003 | 9.7969 | 0.0006 | 13.3883 | 0.0008 | 95.405 | 0.005 | 96.186 | 0.004 | 91.666 | 0.004 | 959.55 | 0.09 | 293 | null | 293 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Methyl(10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl- 10-ene-4,17-dione-1-carboxylate | - C21 H30 O4 - | - C21 H30 O4 - | - C42 H60 O8 - | 2 | 1 | SZ1039 | Drouin, M.; Berthiaume, G.; Deslongchamps, P. | 14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 107 | 110 | 10.1107/S0108270195010092 | 0.7093 | MolybdenumKα~1~ | 0.047 | 0.037 | null | 0.062 | 0.06 | null | null | null | null | 1.68 | 1.68 | null | null | null | has coordinates | Drouin, M.; Berthiaume, G.; Deslongchamps, P.
14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II... | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,441 | 9.5791 | 0.0013 | 9.883 | 0.003 | 12.2588 | 0.0012 | 73.344 | 0.017 | 68.083 | 0.017 | 64.29 | 0.018 | 959.2 | 0.4 | 293 | null | 293 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | Methyl(2E,10E)-trans-bicyclo[12.3.0]heptadeca-7-ylidene-10-methyl-2,10-diene- 4,17-dione-1-carboxylate. | - C21 H28 O4 - | - C21 H28 O4 - | - C42 H56 O8 - | 2 | 1 | SZ1039 | Drouin, M.; Berthiaume, G.; Deslongchamps, P. | 14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II) | Acta Crystallographica Section C | 1,996 | 52 | 1 | 107 | 110 | 10.1107/S0108270195010092 | 0.7093 | MolybdenumKα~1~ | 0.091 | 0.073 | null | 0.084 | 0.083 | null | null | null | null | 4.83 | 4.83 | null | null | null | has coordinates | Drouin, M.; Berthiaume, G.; Deslongchamps, P.
14-Membered Macrocycles: Methyl <i>trans</i>-(10<i>E</i>)-5-Methyl-8-methylene-11,15-dioxobicyclo[12.3.0]heptadec-4-ene-14-carboxylate, (I), and Methyl <i>trans</i>-(2<i>E</i>,10<i>E</i>)-10-Methyl-7-methylene-4,17-dioxobicyclo[12.3.0]heptadeca-2,10-diene-1-carboxylate, (II... | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,442 | 20.155 | 0.006 | 12.151 | 0.002 | 22.026 | 0.004 | 90 | null | 99.81 | 0.02 | 90 | null | 5,315 | 2 | 298 | null | null | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | 14 | - C32 H21 Cl3 I4 N6 S18 Tl - | - C34 Cl4 I4 N6 S18 Tl - | - C136 Cl16 I16 N24 S72 Tl4 - | 4 | 1 | SZ1040 | Geiser, U.; Schlueter, J. A.; Kini, A. M.; Achenbach, C. A.; Komosa, A. S.; Williams, J. M. | 3,4-Pyrazino-3',4'-ethylenedithio-2,2',5,5'-tetrathiafulvalenium Tetraiodothallate(III) Solvate (3:1) with 1,1,2-Trichloroethane, (PEDT‒TTF)~3~TlI~4~.TCE | Acta Crystallographica Section C | 1,996 | 52 | 1 | 159 | 162 | 10.1107/S0108270195010079 | 0.7107 | MoKα | null | 0.07 | null | null | 0.051 | null | null | null | null | 1.77 | 1.77 | null | null | null | has coordinates | Geiser, U.; Schlueter, J. A.; Kini, A. M.; Achenbach, C. A.; Komosa, A. S.; Williams, J. M.
3,4-Pyrazino-3',4'-ethylenedithio-2,2',5,5'-tetrathiafulvalenium Tetraiodothallate(III) Solvate (3:1) with 1,1,2-Trichloroethane, (PEDT‒TTF)~3~TlI~4~.TCE
Acta Crystallographica Section C
52(1)
(1996)
159-162 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,278 | 9.356 | 0.002 | 9.356 | 0.002 | 35.935 | 0.009 | 90 | null | 90 | null | 120 | null | 2,724.1 | 1.1 | 293 | null | null | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | - Mo9 Rb2 S11 - | - Mo9 Rb2 S11 - | - Mo54 Rb12 S66 - | 6 | 0.166667 | Soazig Picard; Patrick Gougeon; Michel Potel | Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters | Inorganic Chemistry | 1,999 | 38 | 4422 | 4429 | 10.1021/ic990362b | x-ray | 0.71073 | MoKα | 0.0679 | 0.0368 | null | 0.0394 | 0.0379 | null | null | null | 1.55 | 1.76 | 1.76 | null | null | null | has coordinates | Soazig Picard; Patrick Gougeon; Michel Potel
Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
Inorganic Chemistry
38
(1999)
4422-4429 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,443 | 11.996 | 0.003 | 13.048 | 0.003 | 25.017 | 0.008 | 98.93 | 0.02 | 90.46 | 0.02 | 114 | 0.02 | 3,522.9 | 1.8 | 230 | 2 | 230 | 2 | null | null | null | null | 8 | P -1 | -P 1 | 2 | Holmium carbons apart carborane cluster | - C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 - | - C44 H100 B8 Cl4 Ho2 Li2 N6 Si4 - | - C88 H200 B16 Cl8 Ho4 Li4 N12 Si8 - | 2 | 1 | SZ1042 | Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S. | A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 8 | 11 | 10.1107/S0108270195010110 | 0.71073 | MoKα | 0.0592 | 0.0419 | null | 0.1254 | 0.1042 | null | null | null | 1.044 | 1.066 | 1.066 | null | null | null | has coordinates | Zhang, H.; Wang, Y.; Maguire, J. A.; Hosmane, N. S.
A Dinuclear Holmium(III) `Carbons Apart' Carborane Cluster, [C~34~H~92~B~8~Cl~4~Ho~2~Li~2~N~6~Si~4~].C~10~H~8~
Acta Crystallographica Section C
52(1)
(1996)
8-11 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,444 | 9.89 | 0.005 | 9.258 | 0.004 | 8.878 | 0.005 | 108.26 | 0.04 | 78.48 | 0.04 | 67.38 | 0.04 | 663.3 | 0.7 | 293 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C17 H14 O2 - | - C17 H14 O2 - | - C34 H28 O4 - | 2 | 1 | SZ1043 | Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S. | 5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one | Acta Crystallographica Section C | 1,996 | 52 | 1 | 94 | 95 | 10.1107/S0108270195010122 | 0.71073 | MoKα | null | 0.063 | null | null | 0.083 | null | null | null | null | 1.271 | 1.271 | null | null | null | has coordinates | Selladurai, S.; Subramanian, K.; Lakshmi, S.; Chen, Y.-S.; Holt, E. J.; Narasinga Rao, S.
5-Methyl-3-(1-phenylethylidene)-2,3-dihydrobenzo[<i>b</i>]furan-2-one
Acta Crystallographica Section C
52(1)
(1996)
94-95 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,445 | 16.305 | 0.007 | 10.366 | 0.004 | 6.9 | 0.004 | 90 | null | 90 | null | 90 | null | 1,166.2 | 1 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | (6SR,7RS,8SR)-7-methyl-8-phenyl-3-oxabicyclo[4.2.0]oct-1-en-8-ol | - C14 H16 O2 - | - C14 H16 O2 - | - C56 H64 O8 - | 4 | 1 | SZ1044 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran | Acta Crystallographica Section C | 1,996 | 52 | 1 | 237 | 244 | 10.1107/S0108270195010134 | 1.54056 | CuKα | 0.064 | 0.0429 | null | 0.134 | 0.0975 | null | null | null | 1.28 | 1.107 | 1.107 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran
Acta Crystallographica Section C
52(1)
(1996)
237-244 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,446 | 11.031 | 0.002 | 8.3 | 0.001 | 6.625 | 0.001 | 102.37 | 0.01 | 93.66 | 0.01 | 98.31 | 0.01 | 583.44 | 0.16 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | (1SR,2RS,8RS)8-methylthio-3-oxatricyclo[6.4.0.0^2,7^]dodec-6-en-1-ol | - C12 H18 O2 S - | - C12 H18 O2 S - | - C24 H36 O4 S2 - | 2 | 1 | SZ1044 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran | Acta Crystallographica Section C | 1,996 | 52 | 1 | 237 | 244 | 10.1107/S0108270195010134 | 1.54178 | CuKα | 0.0375 | 0.0322 | null | 0.1007 | 0.0899 | null | null | null | 1.027 | 1.091 | 1.091 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran
Acta Crystallographica Section C
52(1)
(1996)
237-244 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,447 | 18.992 | 0.007 | 10.595 | 0.003 | 11.875 | 0.005 | 90 | null | 90 | null | 90 | null | 2,389.5 | 1.5 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P c a b | -P 2bc 2ac | 61 | (1RS,2RS,6SR,7SR,8RS)8-methyl-3-oxatricyclo[6.4.0.0^2,7^]dodeca-1,6,7-triol | - C12 H20 O4 - | - C12 H20 O4 - | - C96 H160 O32 - | 8 | 1 | SZ1044 | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P. | Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran | Acta Crystallographica Section C | 1,996 | 52 | 1 | 237 | 244 | 10.1107/S0108270195010134 | 1.54178 | CuKα | 0.1213 | 0.1071 | null | 0.2212 | 0.21 | null | null | null | 1.244 | 1.265 | 1.265 | null | null | null | has coordinates | Ianelli, S.; Nardelli, M.; Belletti, D.; Jamart-Grégoire, B.; Mercier-Girardot, S.; Caubère, P.
Structural Aspects of the Nucleophilic Attack of Ketone Enolate on Dehydrodihydropyran
Acta Crystallographica Section C
52(1)
(1996)
237-244 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,448 | 10.798 | 0.003 | 12.1 | 0.003 | 12.359 | 0.003 | 106.24 | 0.02 | 104.27 | 0.03 | 103.54 | 0.02 | 1,420.6 | 0.7 | 294 | null | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C18 H18 O2 - | - C18 H18 O2 - | - C72 H72 O8 - | 4 | 2 | SZ1046 | Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J. | A Pinacol Precursor to a Chiral Spiro Compound | Acta Crystallographica Section C | 1,996 | 52 | 1 | 104 | 107 | 10.1107/S0108270195010213 | 0.71073 | MoKα | null | null | null | null | null | null | null | null | null | 1.38 | 1.38 | null | null | null | has coordinates | Schaefer, W. P.; Henling, L. M.; McBay, H. C.; Abulū, J.
A Pinacol Precursor to a Chiral Spiro Compound
Acta Crystallographica Section C
52(1)
(1996)
104-107 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,449 | 6.982 | 0.001 | 8.106 | 0.006 | 8.389 | 0.001 | 106.75 | 0.04 | 108.51 | 0.04 | 97.3 | 0.03 | 418.4 | 0.4 | 133 | 2 | 133 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | 3-Map | 2-amino-3-methylpyridinium bromide monohydrate | - C6 H11 Br N2 O - | - C6 H11 Br N2 O - | - C12 H22 Br2 N4 O2 - | 2 | 1 | TA1032 | Coffey, T.; Robinson, W. T.; Turnbull, M. M. | 2-Amino-3-methylpyridinium Bromide Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 248 | 250 | 10.1107/S0108270195011139 | 0.71073 | MoKα | 0.0528 | 0.0428 | null | 0.1279 | 0.1079 | null | null | null | 0.998 | 1.013 | 1.013 | null | null | null | has coordinates | Coffey, T.; Robinson, W. T.; Turnbull, M. M.
2-Amino-3-methylpyridinium Bromide Monohydrate
Acta Crystallographica Section C
52(1)
(1996)
248-250 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,450 | 6.042 | 0.002 | 13.688 | 0.003 | 10.904 | 0.003 | 90 | 0.02 | 99.13 | 0.03 | 90 | 0.02 | 890.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 3,4-dihydro-3-methyl-6-nitro-2H-1,3-benzoxazin-2-one | - C9 H8 N2 O4 - | - C9 H8 N2 O4 - | - C36 H32 N8 O16 - | 4 | 1 | TA1035 | Waters, J. M.; Kitson, T. M. | 3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 101 | 104 | 10.1107/S0108270195010894 | 0.71073 | MoKα | 0.1068 | 0.0421 | null | 0.1683 | 0.1395 | null | null | null | 1.08 | 1.227 | 1.227 | null | null | null | has coordinates | Waters, J. M.; Kitson, T. M.
3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate
Acta Crystallographica Section C
52(1)
(1996)
101-104 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,451 | 11.207 | 0.002 | 12.195 | 0.001 | 7.3631 | 0.0009 | 90 | 0.01 | 90 | 0.01 | 90 | 0.01 | 1,006.3 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P c a 21 | P 2c -2ac | 29 | p-nitrophenyl dimethylcarbamate | - C9 H10 N2 O4 - | - C9 H10 N2 O4 - | - C36 H40 N8 O16 - | 4 | 1 | TA1035 | Waters, J. M.; Kitson, T. M. | 3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 101 | 104 | 10.1107/S0108270195010894 | 0.71073 | MoKα | 0.0865 | 0.0465 | null | 0.165 | 0.1433 | null | null | null | 1.106 | 1.24 | 1.24 | null | null | null | has coordinates | Waters, J. M.; Kitson, T. M.
3,4-Dihydro-3-methyl-6-nitro-2<i>H</i>-1,3-benzoxazin-2-one and <i>p</i>-Nitrophenyl Dimethylcarbamate
Acta Crystallographica Section C
52(1)
(1996)
101-104 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,452 | 22.939 | 0.001 | 6.574 | 0.002 | 16.481 | 0.002 | 90 | null | 114.67 | 0.01 | 90 | null | 2,258.5 | 0.8 | 293 | null | null | null | null | null | null | null | 3 | C 1 2 1 | C 2y | 5 | - C25 H26 O7 - | - C25 H26 O7 - | - C100 H104 O28 - | 4 | 1 | VJ1017 | Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A. | Tricoccin R2 | Acta Crystallographica Section C | 1,996 | 52 | 1 | 92 | 94 | 10.1107/S0108270195007037 | 1.5418 | CuKα | null | 0.049 | null | null | 0.058 | null | null | null | null | 1.08 | 1.08 | null | null | null | has coordinates | Sekar, K.; Parthasarathy, S.; Schenk, H.; Epe, B.; Mondon, A.
Tricoccin R2
Acta Crystallographica Section C
52(1)
(1996)
92-94 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,453 | 10.181 | 0.002 | 14.635 | 0.002 | 16.076 | 0.002 | 90 | null | 90 | null | 90 | null | 2,395.3 | 0.6 | 292 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C27 H34 O5 - | - C27 H34 O5 - | - C108 H136 O20 - | 4 | 1 | VJ1018 | Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B. | Tricoccin S~43~ | Acta Crystallographica Section C | 1,996 | 52 | 1 | 110 | 112 | 10.1107/S0108270195001533 | 1.5418 | CuKα | null | 0.064 | null | null | 0.078 | null | null | null | null | 1.442 | 1.442 | null | null | null | has coordinates | Sekar, K.; Parthasarathy, S.; Schenk, H.; Mondon, A.; Epe, B.
Tricoccin S~43~
Acta Crystallographica Section C
52(1)
(1996)
110-112 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,454 | 9.968 | 0.002 | 11.207 | 0.004 | 13.394 | 0.001 | 100.86 | 0.01 | 104.42 | 0.02 | 101.63 | 0.01 | 1,373.7 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Terbutaline hemisulfate | 5-[2-[(1,1-dimethylethyl)amino]-1-hydroxyethyl]-1,3-benzenediol hemisulfate. | - C12 H20 N O5 S0.5 - | - C12 H20 N O5 S0.5 - | - C48 H80 N4 O20 S2 - | 4 | 2 | VJ1027 | Sengupta, R.; Dattagupta, J. K. | A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 162 | 164 | 10.1107/S0108270195011395 | 1.54178 | CuKα | 0.0868 | 0.0623 | null | 0.2858 | 0.2326 | null | null | null | 0.856 | 0.863 | 0.863 | null | null | null | has coordinates | Sengupta, R.; Dattagupta, J. K.
A β-Adrenergic Agonist: Protonated Terbutaline Hemisulfate
Acta Crystallographica Section C
52(1)
(1996)
162-164 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,277 | 9.271 | 0.001 | 9.271 | 0.001 | 35.985 | 0.009 | 90 | null | 90 | null | 120 | null | 2,678.6 | 0.8 | 293 | null | null | null | null | null | null | null | 3 | R -3 c :H | -R 3 2"c | 167 | - K2 Mo9 S11 - | - K2 Mo9 S11 - | - K12 Mo54 S66 - | 6 | 0.166667 | Soazig Picard; Patrick Gougeon; Michel Potel | Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters | Inorganic Chemistry | 1,999 | 38 | 4422 | 4429 | 10.1021/ic990362b | x-ray | 0.71073 | MoKα | 0.0237 | 0.0186 | null | 0.0208 | 0.0207 | null | null | null | 2.04 | 2.14 | 2.14 | null | null | null | has coordinates | Soazig Picard; Patrick Gougeon; Michel Potel
Synthesis, Structural Evolution, and Theoretical and Physical Studies of the Novel Compounds M2Mo9S11 (M = K, Rb) and Related Metastable Materials CuxK1.8Mo9S11 (x = 0 or 2) Containing Bioctahedral Mo9 Clusters
Inorganic Chemistry
38
(1999)
4422-4429 | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,455 | 9.708 | 0.002 | 14.039 | 0.001 | 26.302 | 0.002 | 90 | null | 90 | null | 90 | null | 3,584.7 | 0.8 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | Oxymetazoline hydrochloride monohydrate | 3-[(4,5-dihydro-1H-imidazole-2-yl)methyl]-6-(1,1-dimethylethyl) -2,4-dimethylphenol Hydrochloride monohydrate. | - C16 H27 Cl N2 O2 - | - C16 H27 Cl N2 O2 - | - C128 H216 Cl8 N16 O16 - | 8 | 1 | VJ1028 | Sengupta, R.; Dattagupta, J. K. | An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate | Acta Crystallographica Section C | 1,996 | 52 | 1 | 164 | 166 | 10.1107/S0108270195011401 | 1.54178 | CuKα | 0.0828 | 0.0793 | null | 0.223 | 0.2193 | null | null | null | 1.105 | 1.131 | 1.131 | null | null | null | has coordinates | Sengupta, R.; Dattagupta, J. K.
An α-Adrenergic Agonist: Protonated Oxymetazoline Hydrochloride Monohydrate
Acta Crystallographica Section C
52(1)
(1996)
164-166 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,456 | 14.452 | 0.003 | 13.089 | 0.003 | 17.558 | 0.003 | 90 | null | 96.01 | 0.03 | 90 | null | 3,303.1 | 1.2 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C17 H18 N4 O3 - | - C17 H18 N4 O3 - | - C136 H144 N32 O24 - | 8 | 4 | AB1224 | Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S. | <i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell | Acta Crystallographica Section C | 1,996 | 52 | 2 | 458 | 460 | 10.1107/S0108270195011863 | 0.71073 | MoKα | null | 0.052 | null | null | 0.061 | null | null | null | null | 2.14 | 2.14 | null | null | null | has coordinates | Kelderman, E.; Verboom, W.; Engbersen, J. F. J.; Reinhoudt, D. N.; Harkema, S.
<i>trans</i>-(3a<i>R</i>)-1,2,3,3a-Tetrahydro-3a-(methoxymethyl)-5-methyl-7-nitropyrrolo[1,2-<i>a</i>]quinoline-4,4(5<i>H</i>)-dicarbonitrile: Four Independent Molecules in the Unit Cell
Acta Crystallographica Section C
52(2)
(1996)
458-460 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,457 | 10.22 | 0.001 | 10.22 | null | 20.973 | 0.002 | 90 | null | 90 | null | 90 | null | 2,190.6 | 0.3 | 294.2 | null | 294.2 | null | null | null | null | null | 6 | P 43 21 2 | P 4nw 2abw | 96 | - C10 H28 Cl2 N2 O14 Pt - | - C10 H28 Cl2 N2 O14 Pt - | - C40 H112 Cl8 N8 O56 Pt4 - | 4 | 0.5 | AB1271 | Whalen, J. T.; Chang, S.-C.; Norman, R. E. | Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6) | Acta Crystallographica Section C | 1,996 | 52 | 2 | 297 | 300 | 10.1107/S0108270195009243 | 0.7107 | MoKα | null | 0.0416 | null | null | 0.0527 | null | null | null | null | 1.989 | 1.989 | null | null | null | has coordinates | Whalen, J. T.; Chang, S.-C.; Norman, R. E.
Dichloro(ethylenediaminetetraacetic acid-<i>N</i>,<i>N</i>')platinum(II)‒Water (1/6)
Acta Crystallographica Section C
52(2)
(1996)
297-300 | 199,607 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,458 | 13.847 | 0.002 | 12.2 | 0.001 | 15.981 | 0.002 | 90 | null | 105.72 | 0.01 | 90 | null | 2,598.7 | 0.6 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | I 1 2/a 1 | -I 2ya | 15 | Mn(ω-nap)~2~ dipyridine adduct | bis(ω-nitroacetophenonato)Mn(II) cis-dipyridine adduct | - C26 H22 Mn N4 O6 - | - C26 H22 Mn N4 O6 - | - C104 H88 Mn4 N16 O24 - | 4 | 0.5 | AB1273 | Hicke, S.; Mueller, T. E.; Falvello, L. R. | <i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II) | Acta Crystallographica Section C | 1,996 | 52 | 2 | 307 | 309 | 10.1107/S0108270195008304 | 0.71073 | MoKα | 0.1301 | 0.0582 | null | 0.1185 | 0.104 | null | null | null | 1.054 | 1.202 | 1.202 | null | null | null | has coordinates | Hicke, S.; Mueller, T. E.; Falvello, L. R.
<i>cis</i>-Dipyridine Complex of Bis(ω-nitroacetophenonato)manganese(II)
Acta Crystallographica Section C
52(2)
(1996)
307-309 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,459 | 6.795 | 0.005 | 6.929 | 0.005 | 7.457 | 0.004 | 91.96 | 0.05 | 102.13 | 0.05 | 118.82 | 0.06 | 297 | 0.4 | 300 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - Cl4 H4 O4 Rb2 U - | - Cl4 H4 O4 Rb2 U - | - Cl4 H4 O4 Rb2 U - | 1 | 0.5 | AB1276 | Anson, C. E.; Al-Jowder, O.; Jayasooriya, U. A.; Powell, A. K. | Dirubidium Tetrachlorodioxouranium(VI)‒Water (1:2) | Acta Crystallographica Section C | 1,996 | 52 | 2 | 279 | 281 | 10.1107/S0108270195011723 | 0.71069 | MoKα | null | 0.051 | null | null | 0.0507 | null | null | null | null | 2.79 | 2.79 | null | null | null | has coordinates | Anson, C. E.; Al-Jowder, O.; Jayasooriya, U. A.; Powell, A. K.
Dirubidium Tetrachlorodioxouranium(VI)‒Water (1:2)
Acta Crystallographica Section C
52(2)
(1996)
279-281 | 189,249 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,460 | 4.944 | 0.002 | 13.005 | 0.002 | 20.234 | 0.003 | 85.07 | 0.01 | 89.71 | 0.02 | 79.45 | 0.02 | 1,274.2 | 0.6 | 122 | 2 | 122 | 2 | null | null | null | null | 4 | P -1 | -P 1 | 2 | N-acetyl-N,O-di(propylcarbamoyl)hydroxylamine | N-[(propylamino)carbonyl]-N-{[(propylamino)carbonyl]oxy}-acetamide. | - C10 H19 N3 O4 - | - C10 H19 N3 O4 - | - C40 H76 N12 O16 - | 4 | 2 | AB1290 | B. B. Nielsen; K. Frydenvang; I. K. Larsen | The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide | Acta Crystallographica Section C | 1,996 | 52 | 2 | 387 | 390 | 10.1107/S0108270195012236 | 0.71073 | MoKα | 0.0826 | 0.0698 | null | 0.1958 | 0.1755 | null | null | null | 1.046 | 1.017 | 1.017 | null | null | null | has coordinates | B. B. Nielsen; K. Frydenvang; I. K. Larsen
The Ribonucleotide Reductase R1 Inhibitor <i>N</i>-Acetyl-<i>N</i>,<i>O</i>-di(propylcarbamoyl)hydroxylamine, an Analogue of Caracemide
Acta Crystallographica Section C
52(2)
(1996)
387-390 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,461 | 7.519 | 0.004 | 14.202 | 0.003 | 7.885 | 0.003 | 90 | null | 109.26 | 0.04 | 90 | null | 794.9 | 0.6 | 294 | 1 | 294 | 1 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | 6-amino-4-methoxy-2-methylthiopyrimidine | - C6 H9 N3 O S - | - C6 H9 N3 O S - | - C24 H36 N12 O4 S4 - | 4 | 1 | AB1323 | Low, J. N.; Ferguson, G.; Godino, M. L.; Cobo, J.; Lopez, R.; Melguizo, M.; Nogueras, M.; Sanchez, A. | 6-Amino-4-methoxy-2-methylthiopyrimidine | Acta Crystallographica Section C | 1,996 | 52 | 2 | 418 | 420 | 10.1107/S010827019501448X | 0.7107 | MolybdenumKα | 0.0872 | 0.0636 | null | 0.1636 | 0.1533 | null | null | null | 1.003 | 1.13 | 1.13 | null | null | null | has coordinates | Low, J. N.; Ferguson, G.; Godino, M. L.; Cobo, J.; Lopez, R.; Melguizo, M.; Nogueras, M.; Sanchez, A.
6-Amino-4-methoxy-2-methylthiopyrimidine
Acta Crystallographica Section C
52(2)
(1996)
418-420 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,462 | 12.748 | 0.002 | 20.265 | 0.003 | 8.562 | 0.002 | 90 | null | 90.38 | 0.01 | 90 | null | 2,211.8 | 0.7 | 293 | null | null | null | null | null | null | null | 6 | P 1 21 1 | P 2yb | 4 | - C20 H48 N10 Na4 O31 P4 - | - C20 H48 N10 Na4 O31 P4 - | - C40 H96 N20 Na8 O62 P8 - | 2 | 1 | AS1187 | Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H. | Tetrasodium <i>P</i>^1^,<i>P</i>^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate | Acta Crystallographica Section C | 1,996 | 52 | 2 | 338 | 340 | 10.1107/S0108270195010419 | 1.54184 | CuKα | null | 0.036 | null | null | 0.054 | null | null | null | null | 1.28 | 1.28 | null | null | null | has coordinates | Watanabe, D.; Ishikawa, M.; Yamasaki, M.; Ozaki, M.; Katayama, T.; Nakajima, H.
Tetrasodium <i>P</i>^1^,<i>P</i>^4^-Bis(5'-adenosyl)tetraphosphate Dodecahydrate
Acta Crystallographica Section C
52(2)
(1996)
338-340 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,463 | 7.679 | 0.002 | 5.891 | 0.001 | 14.8 | 0.003 | 90 | null | 91.28 | 0.03 | 90 | null | 669.3 | 0.2 | 298 | null | null | null | null | null | null | null | 2 | P 1 21/n 1 | -P 2yn | 14 | - C18 H18 - | - C18 H18 - | - C36 H36 - | 2 | 0.5 | AS1191 | Lam, Y.-L.; Koh, L.-L.; Huang, H.-H. | 1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl | Acta Crystallographica Section C | 1,996 | 52 | 2 | 397 | 400 | 10.1107/S0108270195011929 | 0.71073 | MoKα | null | 0.0397 | null | null | 0.0473 | null | null | null | null | 1.24 | 1.24 | null | null | null | has coordinates | Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.
1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl
Acta Crystallographica Section C
52(2)
(1996)
397-400 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,464 | 11.2 | 0.01 | 7.627 | 0.007 | 17.56 | 0.01 | 90 | null | 90 | null | 90 | null | 1,500 | 2 | 298 | null | null | null | null | null | null | null | 2 | P b c a | -P 2ac 2ab | 61 | - C20 H22 - | - C20 H22 - | - C80 H88 - | 4 | 0.5 | AS1191 | Lam, Y.-L.; Koh, L.-L.; Huang, H.-H. | 1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl | Acta Crystallographica Section C | 1,996 | 52 | 2 | 397 | 400 | 10.1107/S0108270195011929 | 0.71073 | MoKα | null | 0.0354 | null | null | 0.0437 | null | null | null | null | 1.37 | 1.37 | null | null | null | has coordinates | Lam, Y.-L.; Koh, L.-L.; Huang, H.-H.
1,1'-Diphenyl-1,1'-bicyclopropyl and 1,1'-Diphenyl-1,1'-bicyclobutyl
Acta Crystallographica Section C
52(2)
(1996)
397-400 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,004,465 | 10.322 | 0.003 | 14.909 | 0.001 | 9.8059 | 0.0008 | 90 | null | 109.48 | 0.01 | 90 | null | 1,422.7 | 0.4 | 293 | 2 | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C18 H19 N O2 - | - C19 H20 N O2 - | - C76 H80 N4 O8 - | 4 | 1 | AS1204 | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A. | Coumarin 106, C~18~H~19~NO~2~ | Acta Crystallographica Section C | 1,996 | 52 | 2 | 364 | 365 | 10.1107/S0108270195010845 | 1.54184 | CuKα | null | 0.051 | null | null | 0.066 | null | null | null | null | 2.85 | 2.85 | null | null | null | has coordinates | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
Coumarin 106, C~18~H~19~NO~2~
Acta Crystallographica Section C
52(2)
(1996)
364-365 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,466 | 7.686 | 0.003 | 7.242 | 0.001 | 9.924 | 0.001 | 90 | null | 98.31 | 0.02 | 90 | null | 546.6 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | 2-bromo-5-(α-D-2-deoxyribofuranosyl)pyridine | - C10 H12 Br N O3 - | - C10 H12 Br N O3 - | - C20 H24 Br2 N2 O6 - | 2 | 1 | AS1213 | Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B. | The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine | Acta Crystallographica Section C | 1,996 | 52 | 2 | 407 | 409 | 10.1107/S0108270195013060 | 0.7107 | MoKα | 0.0446 | 0.0434 | null | 0.1139 | 0.1132 | null | null | null | 0.909 | 0.932 | 0.932 | null | null | null | has coordinates | Neidle, S.; Capaldi, D. C.; Bernadette, J. V.; Reese, C. B.
The α-Pyridyl Nucleoside Analogue 2-Bromo-5-(2-deoxy-α-<small>D</small>-ribofuranosyl)pyridine
Acta Crystallographica Section C
52(2)
(1996)
407-409 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,467 | 12.266 | 0.001 | 11.879 | 0.001 | 10.412 | 0.002 | 90 | null | 93.76 | 0.01 | 90 | null | 1,513.8 | 0.3 | 297 | 2 | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C18 H19 N O4 - | - C19 H20 N O4 - | - C76 H80 N4 O16 - | 4 | 1 | AS1214 | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A. | An Orange Form of Coumarin 314 | Acta Crystallographica Section C | 1,996 | 52 | 2 | 395 | 397 | 10.1107/S010827019501239X | 1.54184 | CuKα | null | 0.055 | null | null | 0.089 | null | null | null | null | 4.29 | 4.29 | null | null | null | has coordinates | Honda, T.; Fujii, I.; Hirayama, N.; Aoyama, N.; Miike, A.
An Orange Form of Coumarin 314
Acta Crystallographica Section C
52(2)
(1996)
395-397 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,004,468 | 10.04 | 0.01 | 9.572 | 0.004 | 10.68 | 0.005 | 90 | null | 98.16 | 0.06 | 90 | null | 1,016 | 1.2 | 296 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C11 H11 N3 S - | - C11 H11 N3 S - | - C44 H44 N12 S4 - | 4 | 1 | AS1216 | Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T. | 5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines | Acta Crystallographica Section C | 1,996 | 52 | 2 | 372 | 375 | 10.1107/S0108270195013035 | 0.71073 | MoKα | null | 0.038 | null | null | 0.031 | null | null | null | null | 1.49 | 1.49 | null | null | null | has coordinates | Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.
5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines
Acta Crystallographica Section C
52(2)
(1996)
372-375 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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2,004,469 | 9.975 | 0.005 | 9.695 | 0.005 | 10.145 | 0.009 | 90 | null | 97.92 | 0.06 | 90 | null | 971.7 | 1.1 | 297 | null | null | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C11 H11 N3 O - | - C11 H11 N3 O - | - C44 H44 N12 O4 - | 4 | 1 | AS1216 | Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T. | 5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines | Acta Crystallographica Section C | 1,996 | 52 | 2 | 372 | 375 | 10.1107/S0108270195013035 | 0.71073 | MoKα | null | 0.038 | null | null | 0.036 | null | null | null | null | 1.87 | 1.87 | null | null | null | has coordinates | Kingsford-Adaboh, R.; Kashino, S.; Sasaki, K.; Rouf, A. S. S.; Hirota, T.
5-Amino-8-methyl-1,2-dihydrothieno(and furo)[2,3-<i>h</i>][1,6]naphthyridines
Acta Crystallographica Section C
52(2)
(1996)
372-375 | 301,791 | 2025-08-18 | 23:15:26 | #------------------------------------------------------------------------------
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4,322,276 | 11.0899 | 0.0012 | 14.3874 | 0.0015 | 11.0872 | 0.0013 | 90 | null | 113.615 | 0.008 | 90 | null | 1,620.9 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C34 H40 N P2 S2 Tc - | - C34 N2 P2 S2 Tc - | - C68 N4 P4 S4 Tc2 - | 2 | 0.5 | Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Erica Malagò; Giuliano Bandoli; Francesco Tisato; Fiorenzo Refosco; Roberto Pasqualini; Adriano Duatti | Synthesis of a Novel Class of trigonal Bipyramidal Nitrido Tc(V) Complexes with Phosphino-Thiol Ligands. Crystal Structure of [99gTc(N)(L1)2] [L1= 2-(Diphenylphosphino)ethanethiolato] and [99gTc(N)(L5)2] [L5= 2-(Ditolylphosphino)propanethiolato] | Inorganic Chemistry | 1,999 | 38 | 4473 | 4479 | 10.1021/ic9903477 | 0.71073 | MoKα | 0.0763 | 0.0603 | null | 0.1802 | 0.1646 | null | null | null | 1.066 | 1.106 | 1.106 | null | null | null | has coordinates | Cristina Bolzati; Alessandra Boschi; Licia Uccelli; Erica Malagò; Giuliano Bandoli; Francesco Tisato; Fiorenzo Refosco; Roberto Pasqualini; Adriano Duatti
Synthesis of a Novel Class of trigonal Bipyramidal Nitrido Tc(V) Complexes with Phosphino-Thiol Ligands. Crystal Structure of [99gTc(N)(L1)2] [L1= 2-(Diphenylphosphi... | 179,325 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,004,470 | 10.631 | 0.002 | 10.84 | 0.002 | 11.08 | 0.002 | 90 | null | 92.31 | 0.02 | 90 | null | 1,275.8 | 0.4 | 298 | null | null | null | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | - C13 H16 Ir N O S - | - C13 H12 Ir N O S - | - C52 H48 Ir4 N4 O4 S4 - | 4 | 1 | BK1135 | Theron, M.; Purcell, W.; Basson, S. S. | (η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I) | Acta Crystallographica Section C | 1,996 | 52 | 2 | 336 | 338 | 10.1107/S0108270195008729 | 0.71073 | MoKα | null | 0.038 | null | null | 0.038 | null | null | null | null | 0.77 | 0.77 | null | null | null | has coordinates | Theron, M.; Purcell, W.; Basson, S. S.
(η^4^-Cycloocta-1,5-diene)(2-pyridinethiolato <i>N</i>-oxide-κ<i>O</i>,κ<i>S</i>)iridium(I)
Acta Crystallographica Section C
52(2)
(1996)
336-338 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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