file int64 | a float64 | siga float64 | b float64 | sigb float64 | c float64 | sigc float64 | alpha float64 | sigalpha float64 | beta float64 | sigbeta float64 | gamma float64 | siggamma float64 | vol float64 | sigvol float64 | celltemp float64 | sigcelltemp float64 | diffrtemp float64 | sigdiffrtemp float64 | cellpressure float64 | sigcellpressure float64 | diffrpressure float64 | sigdiffrpressure float64 | thermalhist string | pressurehist string | compoundsource string | nel string | sg string | sgHall string | sgNumber int64 | commonname string | chemname string | mineral string | formula string | calcformula string | cellformula string | Z int64 | Zprime float64 | acce_code string | authors string | title string | journal string | year int64 | volume int64 | issue string | firstpage string | lastpage string | doi string | method string | radiation string | wavelength float64 | radType string | radSymbol string | Rall float64 | Robs float64 | Rref float64 | wRall float64 | wRobs float64 | wRref float64 | RFsqd float64 | RI float64 | gofall float64 | gofobs float64 | gofgt float64 | gofref float64 | duplicateof int64 | optimal int64 | status string | flags string | text string | svnrevision int64 | date string | time string | onhold string | cif_text string |
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
2,003,568 | 6.11 | 0.001 | 8.205 | 0.001 | 5.868 | 0.001 | 90 | null | 90 | null | 90 | null | 294.18 | 0.08 | 294 | null | null | null | null | null | null | null | 3 | P n m a | -P 2ac 2n | 62 | Mercury Selenite | Mercury(II) Selenate(IV) | - Hg O3 Se - | - Hg O3 Se - | - Hg4 O12 Se4 - | 4 | 0.5 | HU1145 | Koskenlinna, M.; Valkonen, J. | Mercury(II) Selenite | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1040 | 1042 | 10.1107/S0108270194014770 | 0.71073 | MoKα | null | 0.026 | null | null | 0.032 | null | null | null | null | 0.363 | 0.363 | null | null | null | has coordinates | Koskenlinna, M.; Valkonen, J.
Mercury(II) Selenite
Acta Crystallographica Section C
51(6)
(1995)
1040-1042 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,569 | 15.919 | 0.005 | 10.307 | 0.009 | 16.23 | 0.02 | 90 | null | 104.93 | 0.04 | 90 | null | 2,573 | 4 | 120 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C32 H80 P12 Th - | - C32 H80 P12 Th - | - C64 H160 P24 Th2 - | 2 | 1 | JZ1000 | Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W. | Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1060 | 1063 | 10.1107/S0108270194011790 | 0.71069 | MoKα | null | 0.0447 | null | null | 0.1026 | null | null | null | null | 0.515 | 0.515 | null | null | null | has coordinates | Coles, S. J.; Edwards, P. G.; Hursthouse, M. B.; Read, P. W.
Dimorphism in Actinide Phosphides: Tetrakis[bis(2-dimethylphosphinoethyl)phosphido]thorium(IV)
Acta Crystallographica Section C
51(6)
(1995)
1060-1063 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,570 | 28.058 | 0.006 | 17.315 | 0.002 | 14.962 | 0.001 | 90 | null | 101.36 | 0.01 | 90 | null | 7,126.5 | 1.8 | 293 | null | null | null | null | null | null | null | see text | 6 | C 1 2/c 1 | -C 2yc | 15 | - C84 H60 Ag4.46 Cu0.54 N P2 - | - C84 H60 Ag5 Cu3 N P2 - | - C336 H240 Ag20 Cu12 N4 P8 - | 4 | 0.5 | JZ1005 | Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M. | Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1089 | 1092 | 10.1107/S0108270194014162 | 0.71073 | MoKα | null | 0.032 | null | null | 0.082 | null | null | null | null | 1.021 | 1.021 | null | null | null | has coordinates | Al-Farhan, K. A.; Abu-Salah, O. M.; Mukhalalati, M.; Jaafar, M.
Copper Disordered Hexakis(phenylethynyl)pentaargentate(I) Cluster
Acta Crystallographica Section C
51(6)
(1995)
1089-1092 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,571 | 5.094 | 0.002 | 5.273 | 0.002 | 7.572 | 0.003 | 102.52 | 0.02 | 104.45 | 0.02 | 102.07 | 0.02 | 184.67 | 0.13 | 295 | 2 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - As2 Cu Fe2 H2 O10 - | - As2 Cu Fe2 H2 O10 - | - As2 Cu Fe2 H2 O10 - | 1 | 0.5 | JZ1007 | Effenberger, H. | Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1042 | 1045 | 10.1107/S0108270194014617 | 0.710688 | MoKα | null | 0.02 | null | null | 0.019 | null | null | null | null | null | null | null | null | null | has coordinates | Effenberger, H.
Polytypism of CuFe~2~(OH)~2~(AsO~4~)~2~: the Triclinic Modification
Acta Crystallographica Section C
51(6)
(1995)
1042-1045 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,572 | 9.594 | 0.005 | 12.43 | 0.005 | 16.893 | 0.009 | 109.71 | 0.02 | 99.13 | 0.03 | 105.9 | 0.03 | 1,752.4 | 1.6 | 213 | 2 | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C39 H37 Cl2 O2 P2 Re - | - C39 H37 Cl2 O2 P2 Re - | - C78 H74 Cl4 O4 P4 Re2 - | 2 | 1 | JZ1019 | Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J. | <i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1078 | 1080 | 10.1107/S0108270194013314 | 0.71073 | MoKα | null | 0.0207 | null | null | 0.0509 | null | null | null | null | 1.108 | 1.108 | null | null | null | has coordinates | Abram, S.; Abram, U.; Schulz-Lang, E.; Strähle, J.
<i>trans</i>-Dichlorooxo(2-propoxido)bis(triphenylphosphine)rhenium(V)
Acta Crystallographica Section C
51(6)
(1995)
1078-1080 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,573 | 19.907 | 0.005 | 19.907 | 0.005 | 6.43 | 0.005 | 90 | null | 90 | null | 90 | null | 2,548 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 4/n n c :2 | -P 4a 2bc | 126 | Bis(phthalocyaninato)erbium | Bis[29H,31H-phthalocyaninato-N^29^,N^30^,N^31^,N^32^]erbium | - C64 H32 Er N16 - | - C64 H32 Er N16 - | - C128 H64 Er2 N32 - | 2 | 0.125 | JZ1021 | Ostendorp, G.; Werner, J.-P.; Homborg, H. | Bis(phthalocyaninato)erbium (α1 Phase) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1125 | 1128 | 10.1107/S0108270195000126 | 0.71069 | MoKα | 0.0632 | 0.0478 | null | 0.2013 | 0.1831 | null | null | null | 1.274 | 1.37 | 1.37 | null | null | null | has coordinates | Ostendorp, G.; Werner, J.-P.; Homborg, H.
Bis(phthalocyaninato)erbium (α1 Phase)
Acta Crystallographica Section C
51(6)
(1995)
1125-1128 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,574 | 7.223 | 0.003 | 13.913 | 0.0015 | 14.931 | 0.0015 | 100.655 | 0.009 | 101.33 | 0.03 | 90.32 | 0.02 | 1,444.5 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | crystallized from water/acetone | 6 | P -1 | -P 1 | 2 | fac-Dipyridiniomethane-Trifluorotrichloroosmate(IV) | fac-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV) | - C11 H12 Cl3 F3 N2 Os - | - C11 H12 Cl3 F3 N2 Os - | - C44 H48 Cl12 F12 N8 Os4 - | 4 | 2 | JZ1030 | Bruhn, C.; Preetz, W. | <i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1112 | 1116 | 10.1107/S0108270194015015 | 0.71069 | MoKα | 0.0222 | 0.0187 | null | 0.0525 | 0.0503 | null | null | null | 1.199 | 1.199 | 1.199 | null | null | null | has coordinates | Bruhn, C.; Preetz, W.
<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]
Acta Crystallographica Section C
51(6)
(1995)
1112-1116 | 201,955 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,575 | 9.676 | 0.005 | 14.046 | 0.003 | 10.476 | 0.003 | 90 | null | 97.357 | 0.004 | 90 | null | 1,412.1 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | crystallized from water/acetone | 6 | P 1 21/n 1 | -P 2yn | 14 | mer-Dipyridiniomethane-Trifluorotrichloroosmate(IV) | mer-N,N'-methylenedipyridinium trichlorotrifluoroosmate(IV) | - C11 H12 Cl3 F3 N2 Os - | - C11 H12 Cl3 F3 N2 Os - | - C44 H48 Cl12 F12 N8 Os4 - | 4 | 1 | JZ1030 | Bruhn, C.; Preetz, W. | <i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1112 | 1116 | 10.1107/S0108270194015015 | 0.71069 | MoKα | 0.035 | 0.0183 | null | 0.0453 | 0.039 | null | null | null | 1.139 | 1.094 | 1.094 | null | null | null | has coordinates,has Fobs | Bruhn, C.; Preetz, W.
<i>fac</i>- and <i>mer</i>-Dipyridiniomethane Trichlorotrifluoroosmate(IV), <i>fac</i>- and <i>mer</i>-[(C~5~H~5~N)~2~CH~2~][OsCl~3~F~3~]
Acta Crystallographica Section C
51(6)
(1995)
1112-1116 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,372 | 10.861 | 0.002 | 13.552 | 0.003 | 14.438 | 0.003 | 111.13 | 0.01 | 103.74 | 0.01 | 97.82 | 0.01 | 1,867 | 0.7 | 200 | 2 | 200 | 2 | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C43 H42 N3 O1.5 P Ru S2 - | - C43 H40 N3 O1.5 P Ru S2 - | - C86 H80 N6 O3 P2 Ru2 S4 - | 2 | 1 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.1037 | 0.056 | null | 0.1281 | 0.107 | null | null | null | 1.037 | 1.075 | 1.075 | null | null | null | has coordinates | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,576 | 10.957 | 0.001 | 12.836 | 0.002 | 16.466 | 0.003 | 90 | null | 90 | null | 90 | null | 2,315.8 | 0.6 | 298 | null | null | null | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H33 N O12 - | - C23 H33 N O12 - | - C92 H132 N4 O48 - | 4 | 1 | KA1049 | Urbanczyk-Lipkowska, Z. | A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1184 | 1187 | 10.1107/S010827019301265X | 0.71069 | MoKα | null | 0.046 | null | null | 0.039 | null | null | null | null | 1.348 | 1.348 | null | null | null | has coordinates | Urbanczyk-Lipkowska, Z.
A Morphine Metabolite: ({-})-Morphine-3-<i>O</i>-β-<small>D</small>-glucuronide Trihydrate (M3G.3H~2~O)
Acta Crystallographica Section C
51(6)
(1995)
1184-1187 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,577 | 13.342 | 0.001 | 17.709 | 0.002 | 9.723 | 0.002 | 90 | null | 97.23 | 0.01 | 90 | null | 2,279 | 0.6 | 295 | 2 | null | null | null | null | null | null | CH~3~CH/H~2~O | 5 | P 1 21/n 1 | -P 2yn | 14 | - C18 H20 B2 N12 Zn - | - C18 H20 B2 N12 Zn - | - C72 H80 B8 N48 Zn4 - | 4 | 1 | KH1006 | Nakata, K.; Kawabata, S.; Ichikawa, K. | Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1092 | 1094 | 10.1107/S0108270194013880 | 0.71073 | MoKα | null | 0.0467 | null | null | 0.0476 | null | null | null | null | 1.79 | 1.79 | null | null | null | has coordinates | Nakata, K.; Kawabata, S.; Ichikawa, K.
Bis[hydrotris(1-pyrazolyl-<i>N</i>^2^)borato]zinc(II)
Acta Crystallographica Section C
51(6)
(1995)
1092-1094 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,578 | 14.049 | 0.001 | 7.874 | 0.0008 | 15.017 | 0.001 | 90 | null | 115.45 | 0.01 | 90 | null | 1,499.9 | 0.2 | 293 | 2 | 293 | 2 | null | null | null | null | Single crystals of vanillin were grown by gel technique. Details are published elsewhere (Sureshkumar, Sivakumar & Natarajan, 1994). | 3 | P 1 21 1 | P 2yb | 4 | 3-methoxy-4-hydroxybenzaldehyde | - C8 H8 O3 - | - C8 H8 O3 - | - C64 H64 O24 - | 8 | 4 | LI1126 | Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S. | Vanillin-I | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1131 | 1133 | 10.1107/S0108270194011923 | 0.71073 | MoKα | 0.0426 | 0.025 | null | 0.0658 | 0.0603 | null | null | null | 0.97 | 1.066 | 1.066 | null | null | null | has coordinates | Velavan, R.; Sureshkumar, P.; Sivakumar, K.; Natarajan, S.
Vanillin-I
Acta Crystallographica Section C
51(6)
(1995)
1131-1133 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,579 | 6.059 | 0.001 | 11.598 | 0.002 | 17.253 | 0.004 | 90 | null | 90 | null | 90 | null | 1,212.4 | 0.4 | 293 | 2 | 293 | 2 | null | null | null | null | 4 | P 21 21 21 | P 2ac 2ab | 19 | 4-Nitrobenzaldehydephenylhydrazone | - C13 H11 N3 O2 - | - C13 H11 N3 O2 - | - C52 H44 N12 O8 - | 4 | 1 | LI1127 | Velavan, R.; Sivakumar, K.; Anbu, M. | (<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1227 | 1229 | 10.1107/S0108270194012606 | 1.5418 | CuKα | 0.0398 | 0.0368 | null | 0.1097 | 0.1074 | null | null | null | 1.058 | 1.099 | 1.099 | null | null | null | has coordinates | Velavan, R.; Sivakumar, K.; Anbu, M.
(<i>E</i>)-4-Nitrobenzaldehyde Phenylhydrazone
Acta Crystallographica Section C
51(6)
(1995)
1227-1229 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,580 | 13.537 | 0.01 | 14.111 | 0.007 | 12.06 | 0.01 | 99.98 | 0.06 | 90.24 | 0.07 | 94.02 | 0.06 | 2,263 | 3 | 188 | null | null | null | null | null | null | null | crystallization from ethanol | 5 | P -1 | -P 1 | 2 | - C94 H102 Cu4 O14 P4 - | - C94 H102 Cu4 O14 P4 - | - C94 H102 Cu4 O14 P4 - | 1 | 0.5 | MU1081 | Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G. | Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~] | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1082 | 1084 | 10.1107/S0108270194009935 | 1.54178 | CuKα | null | 0.0697 | null | null | 0.0734 | null | null | null | null | 1.58 | 1.58 | null | null | null | has coordinates | Dunaj-Jurčo, M.; Koman, M.; Valigura, D.; Ondrejovič, G.
Bis(ethanol)-1κ<i>O</i>,4κ<i>O</i>-hexakis(μ-propionato)-1κ<i>O</i>:2κ<i>O</i>';2κ^4^<i>O</i>:3κ^4^<i>O</i>';3κ<i>O</i>:4κ<i>O</i>'-tetrakis(triphenylphosphine)-1κ^2^<i>P</i>,4κ^2^<i>P</i>-tetracopper(I,II), [Cu~4~(C~3~H~5~O~2~)~6~(C~2~H~6~O)~2~(C~18~H~15~P)~4~]
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2,003,581 | 7.435 | 0.003 | 14.124 | 0.003 | 13.693 | 0.003 | 90 | null | 111.03 | 0.03 | 90 | null | 1,342.2 | 0.7 | 293 | null | 293 | null | null | null | null | null | 7 | P 1 21/c 1 | -P 2ybc | null | bis(2-chloro-6-flourobenzoato)di(nicotinamide)copper(II) | - C26 H18 Cl2 Cu F2 N4 O6 - | - C26 H18 Cl2 Cu F2 N4 O6 - | - C52 H36 Cl4 Cu2 F4 N8 O12 - | 2 | 0.5 | MU1108 | Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M. | Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1095 | 1097 | 10.1107/S0108270194013922 | 0.71069 | MoKα | null | 0.047 | null | null | 0.045 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Hoang, N. N.; Valach, F.; Dunaj-Jurčo, M.
Bis(2-chloro-6-fluorobenzoato)bis(nicotinamide)copper(II)
Acta Crystallographica Section C
51(6)
(1995)
1095-1097 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,582 | 9.494 | 0.001 | 9.494 | 0.001 | 11.203 | 0.002 | 90 | null | 90 | null | 90 | null | 1,009.8 | 0.2 | 293 | null | null | null | null | null | null | null | Et~2~O/MeCN | 6 | P 4/m b m | -P 4 2ab | 127 | - C8 H12 F12 N4 P2 Pt - | - C8 H12 F12 N4 P2 Pt - | - C16 H24 F24 N8 P4 Pt2 - | 2 | 0.125 | MU1154 | Crossley, J. G.; Orpen, A. G. | [<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1102 | 1105 | 10.1107/S0108270194014587 | 0.71073 | MoKα | null | 0.0287 | null | null | 0.0339 | null | null | null | null | 1.2 | 1.2 | null | null | null | has coordinates | Crossley, J. G.; Orpen, A. G.
[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
Acta Crystallographica Section C
51(6)
(1995)
1102-1105 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,583 | 9.434 | 0.002 | 9.434 | 0.002 | 11.27 | 0.003 | 90 | null | 90 | null | 90 | null | 1,003 | 0.4 | 293 | null | null | null | null | null | null | null | Et~2~O/MeCN solvent diffusion | 6 | P 4/m b m | -P 4 2ab | 127 | - C8 H12 F12 N4 P2 Pd - | - C8 H12 F12 N4 P2 Pd - | - C16 H24 F24 N8 P4 Pd2 - | 2 | 0.125 | MU1154 | Crossley, J. G.; Orpen, A. G. | [<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1102 | 1105 | 10.1107/S0108270194014587 | 0.71073 | MoKα | null | 0.0289 | null | null | 0.0466 | null | null | null | null | 1.817 | 1.817 | null | null | null | has coordinates | Crossley, J. G.; Orpen, A. G.
[<i>M</i>(CNMe)~4~](PF~6~)~2~ (<i>M</i> = Pt, Pd)
Acta Crystallographica Section C
51(6)
(1995)
1102-1105 | 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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2,003,584 | 11.749 | 0.001 | 23.342 | 0.002 | 12.644 | 0.002 | 90 | null | 111.32 | 0.01 | 90 | null | 3,230.3 | 0.7 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | trans-bis(triphenylarsine)chloromethylplatinum(II) | - C37 H33 As2 Cl Pt - | - C37 H33 As2 Cl Pt - | - C148 H132 As8 Cl4 Pt4 - | 4 | 1 | MU1156 | Roodt, A.; Otto, S.; Leipoldt, J. G. | <i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1105 | 1106 | 10.1107/S0108270194014599 | 0.71073 | MoKα | 0.0275 | 0.0275 | null | 0.0696 | 0.0696 | null | null | null | 1.066 | 1.066 | 1.066 | null | null | null | has coordinates,has Fobs | Roodt, A.; Otto, S.; Leipoldt, J. G.
<i>trans</i>-Chloromethylbis(triphenylarsine)platinum(II)
Acta Crystallographica Section C
51(6)
(1995)
1105-1106 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,003,585 | 13.747 | 0.009 | 21.08 | 0.04 | 10.3 | 0.01 | 90 | null | 98.97 | 0.06 | 90 | null | 2,948 | 7 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C34 H39 N O3 Si - | - C34 H39 N O3 Si - | - C136 H156 N4 O12 Si4 - | 4 | 1 | NA1106 | Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T. | (1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1232 | 1234 | 10.1107/S0108270194012825 | 0.71073 | MoKα | null | 0.071 | null | null | 0.094 | null | null | null | null | 1.115 | 1.115 | null | null | null | has coordinates | Urtiaga, M. K.; Arriortua, M. I.; Tellitu, I.; Badía, D.; Domínguez, E.; Ochando, L.; Amigó, J. M.; Debaerdemaeker, T.
(1<i>R</i>*,3<i>S</i>*,4<i>R</i>*)-4-<i>tert</i>-Butyldiphenylsilyloxy-6,7-dimethoxy-1-methyl-3-phenyl-1,2,3,4-tetrahydroisoquinoline
Acta Crystallographica Section C
51(6)
(1995)
1232-1234 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,586 | 7.59 | 0.001 | 11.64 | 0.001 | 11.748 | 0.003 | 88 | 0.01 | 88.08 | 0.01 | 80.02 | 0.01 | 1,021.2 | 0.3 | 295 | null | 295 | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | 3-(4-butoxycarbonyl-phenyloxycarbonyl)-Xanthen-9-one | - C25 H20 O6 - | - C25 H20 O6 - | - C50 H40 O12 - | 2 | 1 | NA1123 | Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R. | 3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1211 | 1213 | 10.1107/S0108270194012710 | 1.54178 | CuKα | 0.05 | 0.044 | null | null | 0.067 | null | null | null | null | 3.021 | 3.021 | null | null | null | has coordinates | Centore, R.; Ciajolo, M. R.; Tuzi, A.; Kricheldorf, H. R.
3-(4-Butoxycarbonylphenyloxycarbonyl)-xanthen-9-one
Acta Crystallographica Section C
51(6)
(1995)
1211-1213 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
#$Revision: 301791 $
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2,003,587 | 9.1706 | 0.0041 | 9.3871 | 0.0073 | 9.5577 | 0.0027 | 112.988 | 0.057 | 113.552 | 0.022 | 93.402 | 0.051 | 671.3 | 0.8 | 250 | null | 250 | null | null | null | null | null | synthetic | 7 | P 1 | P 1 | 1 | (-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-π-allyl-palladium(II)- hexa-fluorophosphat | - C26 H31 F6 N2 O2 P Pd - | - C26 H31 F6 N2 O2 P Pd - | - C26 H31 F6 N2 O2 P Pd - | 1 | 1 | NA1124 | Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A. | (Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1109 | 1112 | 10.1107/S0108270194013119 | 0.71069 | MoKα | null | 0.0176 | null | null | 0.0206 | null | null | null | null | 1.0996 | 1.0996 | null | null | null | has coordinates | Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.
(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands
Acta Crystallographica Section C
51(6)
(1995)
1109-1112 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,003,588 | 12.6087 | 0.0025 | 15.2262 | 0.0192 | 18.5205 | 0.007 | 90 | null | 90 | null | 90 | null | 3,556 | 5 | 250 | null | 250 | null | null | null | null | null | synthetic | 7 | P 21 21 21 | P 2ac 2ab | 19 | (-)-{2,2-Bis-[(r)-4'-(benzyl)-oxazolin-2'-yl]propan}-{π-1,3-diphenylallyl}- palladium(II)-hexafluorophosphat | - C38 H39 F6 N2 O2 P Pd - | - C38 H39 F6 N2 O2 P Pd - | - C152 H156 F24 N8 O8 P4 Pd4 - | 4 | 1 | NA1124 | Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A. | (Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1109 | 1112 | 10.1107/S0108270194013119 | 0.71069 | MoKα | null | 0.0309 | null | null | 0.0183 | null | null | null | null | 1.1326 | 1.1326 | null | null | null | has coordinates | Zehnder, M.; Neuburger, M.; von Matt, P.; Pfaltz, A.
(Allyl)palladium(II) Complexes with Chiral Ligands. I. (Allyl)palladium(II) Complexes with Methylenebis(oxazoline) Ligands
Acta Crystallographica Section C
51(6)
(1995)
1109-1112 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,589 | 7.256 | 0.001 | 9.3991 | 0.0009 | 30.265 | 0.003 | 90 | null | 90 | null | 90 | null | 2,064.1 | 0.4 | 293 | null | null | null | null | null | null | null | 3 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H32 O3 - | - C23 H32 O3 - | - C92 H128 O12 - | 4 | 1 | NA1126 | Puliti, R.; De Rosa, S.; Mattia, C. A. | Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i> | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1195 | 1198 | 10.1107/S0108270194012722 | 1.54056 | CuKα | null | 0.0441 | null | null | 0.0438 | null | null | null | null | 0.88 | 0.88 | null | null | null | has coordinates | Puliti, R.; De Rosa, S.; Mattia, C. A.
Crystal Studies of Avarol Derivatives. 5'-Acetylavarol from <i>Dysidea avara</i>
Acta Crystallographica Section C
51(6)
(1995)
1195-1198 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,371 | 12.903 | 0.003 | 9.603 | 0.005 | 14.219 | 0.003 | 90 | null | 96.52 | 0.02 | 90 | null | 1,750.4 | 1.1 | 200 | 2 | 200 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H17 Fe N3 S2 - | - C19 H17 Fe N3 S2 - | - C76 H68 Fe4 N12 S8 - | 4 | 1 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.0631 | 0.0448 | null | 0.1266 | 0.1235 | null | null | null | 0.955 | 1.157 | 1.157 | null | null | null | has coordinates | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,590 | 11.746 | 0.001 | 16.535 | 0.001 | 24.139 | 0.001 | 90 | null | 90 | null | 90 | null | 4,688.3 | 0.5 | 293 | null | null | null | null | null | null | null | 5 | P b c a | -P 2ac 2ab | 61 | - C20 H24 N8 Ni O6 - | - C20 H24 N8 Ni O6 - | - C160 H192 N64 Ni8 O48 - | 8 | 1 | NA1132 | Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C. | [<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1107 | 1109 | 10.1107/S010827019401406X | 0.71073 | MoKα | null | 0.034 | null | null | 0.065 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Soriano-García, M.; Pandiyan, T.; Durán de Bazúa, C.
[<i>N</i>,<i>N</i>'-Bis(benzimidazol-2-ylethyl)-1,2-ethanediamine](nitrato-<i>O</i>,<i>O</i>')nickel(II) Nitrate
Acta Crystallographica Section C
51(6)
(1995)
1107-1109 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,591 | 7.24 | 0.001 | 14.373 | 0.003 | 7.444 | 0.002 | 90 | null | 90 | null | 90 | null | 774.6 | 0.3 | 293 | null | null | null | null | null | null | null | see text | 5 | P c a 21 | P 2c -2ac | 29 | - C6 H5 B F3 K - | - C6 H5 B Ce F3 K - | - C24 H20 B4 Ce4 F12 K4 - | 4 | 1 | NA1133 | Conole, G.; Clough, A.; Whiting, A. | Potassium Trifluorophenylborate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1056 | 1059 | 10.1107/S0108270194014198 | 0.71073 | MoKα | null | 0.0481 | null | null | 0.0501 | null | null | null | null | null | null | null | null | null | has coordinates | Conole, G.; Clough, A.; Whiting, A.
Potassium Trifluorophenylborate
Acta Crystallographica Section C
51(6)
(1995)
1056-1059 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,592 | 6.537 | 0.004 | 15.04 | 0.009 | 14.572 | 0.01 | 90 | null | 92.92 | 0.05 | 90 | null | 1,430.8 | 1.6 | 291 | null | 291 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | (±)-threo-2,3-diphenyl, 3-hydroxypropanoic acid, dimethylamide | - C17 H19 N O2 - | - C17 H19 N O2 - | - C68 H76 N4 O8 - | 4 | 1 | NA1137 | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I. | (±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1169 | 1170 | 10.1107/S0108270194014666 | 0.71073 | MoKα | 0.0705 | 0.0445 | null | 0.0916 | 0.068 | null | null | null | null | 0.73 | 0.73 | null | null | null | has coordinates | Kolev, T.; Preut, H.; Bleckmann, P.; Juchnovski, I.
(±)-<i>threo</i>-3-Hydroxy-2,3-diphenylpropanoic Acid Dimethylamide
Acta Crystallographica Section C
51(6)
(1995)
1169-1170 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,593 | 12.705 | 0.004 | 21.68 | 0.006 | 13.013 | 0.004 | 90 | null | 113.1 | 0.02 | 90 | null | 3,297 | 1.8 | 293 | 2 | null | null | null | null | null | null | 4 | C 1 2/m 1 | -C 2y | 12 | - Cl3 H18 N6 Ru - | - Cl3 H19 N6 Ru - | - Cl36 H228 N72 Ru12 - | 12 | 1.5 | OH1062 | Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N. | Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1045 | 1047 | 10.1107/S0108270194009522 | 0.71073 | MoKα | null | 0.0271 | null | null | 0.0695 | null | null | null | null | 1.179 | 1.179 | null | null | null | has coordinates | Engelhardt, L. M.; Reynolds, P. A.; Sobolev, A. N.
Reconciling the Crystal Structure of [Ru(NH~3~)~6~]Cl~3~ with its ESR Properties
Acta Crystallographica Section C
51(6)
(1995)
1045-1047 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 16:26:36 +0200 (Sun, 14 Feb 2016) $
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2,003,594 | 14.351 | 0.003 | 6.468 | 0.001 | 11.498 | 0.002 | 90 | null | 118.42 | 0.01 | 90 | null | 938.6 | 0.3 | 293 | null | null | null | null | null | null | null | 3 | C 1 2/c 1 | -C 2yc | 15 | - H16 Na2 O10 - | - H16 Na2 O10 - | - H64 Na8 O40 - | 4 | 0.5 | OH1071 | Grehl, M.; Fröhlich, R.; Thiele, S. | Na~2~O~2~.8H~2~O | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1038 | 1040 | 10.1107/S010827019401382X | 0.71073 | MoKα | null | 0.0241 | null | null | 0.07 | null | null | null | null | 1.208 | 1.208 | null | null | null | has coordinates | Grehl, M.; Fröhlich, R.; Thiele, S.
Na~2~O~2~.8H~2~O
Acta Crystallographica Section C
51(6)
(1995)
1038-1040 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,595 | 24.633 | 0.005 | 16.44 | 0.002 | 7.465 | 0.001 | 90 | null | 92.86 | 0.01 | 90 | null | 3,019.3 | 0.8 | 293 | null | null | null | null | null | null | null | synthesis | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C18 H16 O6 - | - C18 H15 O6 - | - C144 H120 O48 - | 8 | 2 | PA1095 | Wallet, J.-C.; Cody, V. | A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1193 | 1195 | 10.1107/S0108270194005986 | 1.54184 | CuKα | null | 0.052 | null | null | 0.064 | null | null | null | null | 2.3 | 2.3 | null | null | null | has coordinates | Wallet, J.-C.; Cody, V.
A New Polymorph of 7-Hydroxy-2',3',4'-trimethoxyflavone
Acta Crystallographica Section C
51(6)
(1995)
1193-1195 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,596 | 12.258 | 0.007 | 22.289 | 0.004 | 13.297 | 0.006 | 90 | null | 104.64 | 0.04 | 90 | null | 3,515 | 3 | 293 | null | 293 | null | null | null | null | null | 5 | C 1 c 1 | C -2yc | 9 | - C30 H44 Cl2 N2 O13 - | - C30 H44 Cl2 N2 O13 - | - C120 H176 Cl8 N8 O52 - | 4 | 1 | PA1136 | Lahrahar, N.; Marsau, P.; Bouas-Laurent, H.; Desvergne, J.-P.; Fages, F. | The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1218 | 1221 | 10.1107/S0108270194013570 | 0.71073 | MoKα | null | 0.061 | null | null | 0.056 | 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.
The Water Inclusion Complex of a Fluorescent Diprotonated Anthracenocryptand
Acta Crystallographica Section C
51(6)
(1995)
1218-1221 | 198,441 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2017-07-05 00:59:33 +0300 (Wed, 05 Jul 2017) $
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2,003,597 | 30.912 | 0.007 | 7.719 | 0.002 | 6.184 | 0.006 | 95.4 | 0.07 | 87.16 | 0.07 | 94.85 | 0.02 | 1,462.5 | 1.5 | 293 | null | 293 | null | null | null | null | null | crystallized from toluene | 4 | P 1 | P 1 | 1 | 4-(2,2,3,3,4,4,4-heptafluorobutyloxycarbonyl)phenyl undecyloxybenzoate | - C29 H33 F7 O5 - | - C29 H33 F7 O5 - | - C58 H66 F14 O10 - | 2 | 2 | PA1138 | Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T. | A Mesogenic Perfluorinated Compound | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1229 | 1231 | 10.1107/S0108270194013582 | 0.71069 | MoKα | null | 0.0452 | null | null | 0.0459 | null | null | null | null | 1.229 | 1.229 | null | null | null | has coordinates | Kromm, P.; Allouchi, H.; Bideau, J.-P.; Cotrait, M.; Nguyen, H. T.
A Mesogenic Perfluorinated Compound
Acta Crystallographica Section C
51(6)
(1995)
1229-1231 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,598 | 16.881 | 0.009 | 12.659 | 0.009 | 9.201 | 0.006 | 90 | null | 90 | null | 90 | null | 1,966.5 | null | 298 | null | null | null | null | null | null | null | from hexane | 4 | P m n b | null | - C19 H26 Cl2 Ti - | - C9.5 H13 Cl Ti0.5 - | - C38 H52 Cl4 Ti2 - | 4 | 0.5 | Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P. | syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1063 | 1064 | 10.1107/S0108270194014083 | 0.71069 | MoKα | null | 0.049 | null | null | 0.055 | null | null | null | null | 1.4 | 1.4 | null | null | null | has coordinates | Urazowski, I.; Mkoyan, S.; Atovmyan, L.; Gautheron, B.; Broussier, R.; Perron, P.
syn-[2,2-Bis(3-isopropyl-η^5^-cyclopentadienyl)propane]dichlorotitanium
Acta Crystallographica Section C
51(6)
(1995)
1063-1064 | 175,029 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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#$Revision: 175029 $
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2,003,599 | 8.017 | 0.002 | 11.103 | 0.003 | 8.263 | 0.003 | 90 | null | 111.53 | 0.04 | 90 | null | 684.2 | 0.4 | 293 | null | 293 | null | null | null | null | null | from chemical synthesis | 3 | P 1 21 1 | P 2yb | 4 | 2α,3α,7β,13β-diépoxy-trans-himachalane. | - C15 H24 O2 - | - C15 H24 O2 - | - C30 H48 O4 - | 2 | 1 | PA1152 | Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E. | 2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1171 | 1173 | 10.1107/S0108270194014125 | 0.7107 | MoKα | null | 0.057 | null | null | 0.075 | null | null | null | null | 1.04 | 1.04 | null | null | null | has coordinates | Chiaroni, A.; Riche, C.; Benharref, A.; El Jamili, H.; Lassaba, E.
2α,3α:7β,13β-Diépoxy-<i>trans</i>-himachalane
Acta Crystallographica Section C
51(6)
(1995)
1171-1173 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,600 | 10.785 | 0.005 | 15.709 | 0.006 | 20.884 | 0.008 | 90 | null | 100.89 | 0.03 | 90 | null | 3,474 | 2 | 293 | null | 293 | null | null | null | null | null | dimethylformamide/chloroform | 6 | P 1 21/n 1 | -P 2yn | 14 | 1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selena- diazadiphosphorin | - C27 H24 Cl8 N2 P2 Se - | - C27 H24 Cl8 N2 P2 Se - | - C108 H96 Cl32 N8 P8 Se4 - | 4 | 1 | SE1064 | Bolte, M. | 1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1209 | 1211 | 10.1107/S0108270194008334 | 0.71069 | MoKα | 0.18 | 0.1048 | null | 0.2991 | 0.2524 | null | null | null | 1.023 | 1.278 | 1.278 | null | null | null | has coordinates,has disorder | Bolte, M.
1,1-Dichloro-3,3,5,5-tetraphenyl-1λ^4^,2,6,3λ^5^,5λ^5^-selenadiazadiphosphorin
Acta Crystallographica Section C
51(6)
(1995)
1209-1211 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,601 | 7.838 | 0.004 | 15.318 | 0.004 | 8.84 | 0.004 | 90 | null | 116.22 | 0.04 | 90 | null | 952.1 | 0.8 | 295 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C11 H7 N O3 - | - C11 H7 N O3 - | - C44 H28 N4 O12 - | 4 | 1 | SE1071 | Steiner, T. | <i>N</i>-(Propargyloxy)phthalimide | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1135 | 1136 | 10.1107/S0108270194012941 | 1.54184 | CuKα | null | 0.049 | null | null | 0.049 | null | null | null | null | 1 | 1 | null | null | null | has coordinates | Steiner, T.
<i>N</i>-(Propargyloxy)phthalimide
Acta Crystallographica Section C
51(6)
(1995)
1135-1136 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,602 | 11.623 | 0.001 | 20.861 | 0.002 | 12.57 | 0.001 | 90 | null | 116.47 | 0.01 | 90 | null | 2,728.3 | 0.5 | 173 | 1 | 173 | 1 | null | null | null | null | 5 | P 1 21 1 | P 2yb | 4 | Methyl 2-O-(Cyclohexylcarbamoyl)-6-deoxy-3,4-O- -(hexafluoroisopropylidene)-α-L-altropyranoside | - C43 H52 F24 N2 O15 - | - C43 H52 F24 N2 O15 - | - C86 H104 F48 N4 O30 - | 2 | 1 | SE1073 | Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R. | The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1198 | 1201 | 10.1107/S0108270194011157 | 1.54178 | CuKα | 0.0489 | 0.0475 | null | 0.1284 | 0.1246 | null | null | null | 1.038 | 1.028 | 1.028 | null | null | null | has coordinates | Kopf, J.; Sheldrick, G.; Reinke, H.; Rentsch, D.; Miethchen, R.
The 2:1 Adduct of an α-<small>L</small>-Altropyranose Derivative with Hexafluoro-2,6-dihydroxy-2,6-bis(trifluoromethyl)-4-heptanone at 173 K
Acta Crystallographica Section C
51(6)
(1995)
1198-1201 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,603 | 15.279 | 0.006 | 16.864 | 0.006 | 10.424 | 0.003 | 90 | null | 90 | null | 90 | null | 2,685.9 | 1.6 | 293 | null | null | null | null | null | null | null | Synthese in unserem Labor, Kristalle aus THF/n-Hexan | 6 | P b c n | -P 2n 2ab | 60 | - C22 H26 Cl4 N5 O2 P3 - | - C22 H26 Cl4 N5 O2 P3 - | - C88 H104 Cl16 N20 O8 P12 - | 4 | 0.5 | SE1074 | Diefenbach, U.; Allcock, H. R.; Visscher, K. B. | Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1215 | 1218 | 10.1107/S0108270194013636 | 0.71073 | MoKα | null | 0.054 | null | null | 0.041 | null | null | null | null | 1.9 | 1.9 | null | null | null | has coordinates | Diefenbach, U.; Allcock, H. R.; Visscher, K. B.
Strukturuntersuchungen einer anorganisch-organischen Spiroverbindung aus Cyclotriphosphazen und 9,10-Diaminophenanthren
Acta Crystallographica Section C
51(6)
(1995)
1215-1218 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,604 | 9.199 | 0.003 | 10.278 | 0.003 | 13.057 | 0.003 | 102.17 | 0.02 | 99.36 | 0.03 | 92.69 | 0.02 | 1,186.5 | 0.6 | 300 | 1 | 300 | 1 | null | null | null | null | 5 | P -1 | -P 1 | 2 | Bis-(tetraphenylphosphonium)-hexachlorodiindat(II) | - C48 H40 Cl6 In2 P2 - | - C48 H40 Cl6 In2 P2 - | - C48 H40 Cl6 In2 P2 - | 1 | 0.5 | SE1075 | Bubenheim, W.; Frenzen, G.; Müller, U. | Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1120 | 1124 | 10.1107/S0108270194011789 | 0.71073 | MoKα | 0.0443 | 0.0319 | null | 0.0812 | 0.0758 | null | null | null | 1.025 | 1.057 | 1.057 | null | null | null | has coordinates | Bubenheim, W.; Frenzen, G.; Müller, U.
Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN
Acta Crystallographica Section C
51(6)
(1995)
1120-1124 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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4,322,370 | 8.376 | 0.002 | 10.649 | 0.002 | 10.942 | 0.002 | 77.56 | 0.01 | 79.19 | 0.02 | 81.24 | 0.02 | 929.8 | 0.3 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C38 H30 N2 Ni2 S8 - | - C38 H30 N2 Ni2 S8 - | - C38 H30 N2 Ni2 S8 - | 1 | 0.5 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.175 | 0.0586 | null | 0.1486 | 0.126 | null | null | null | 0.685 | 1.097 | 1.097 | null | null | null | has coordinates | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,605 | 10.093 | 0.002 | 11.018 | 0.003 | 22.133 | 0.004 | 96.03 | 0.02 | 95.25 | 0.02 | 107.34 | 0.02 | 2,316.8 | 0.9 | 299 | 2 | 299 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | Tetraphenylphosphonium-pentachloroindat(III)-Acetonitril | - C50 H43 Cl5 In N P2 - | - C49 H40 Cl5 In N0.5 P2 - | - C98 H80 Cl10 In2 N P4 - | 2 | 1 | SE1075 | Bubenheim, W.; Frenzen, G.; Müller, U. | Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1120 | 1124 | 10.1107/S0108270194011789 | 0.71073 | MoKα | 0.0366 | 0.0297 | null | 0.0804 | 0.0762 | null | null | null | 1.056 | 1.075 | 1.075 | null | null | null | has coordinates | Bubenheim, W.; Frenzen, G.; Müller, U.
Die Chloroindate [PPh~4~]~2~[In~2~Cl~6~] und [PPh~4~]~2~[InCl~5~].CH~3~CN
Acta Crystallographica Section C
51(6)
(1995)
1120-1124 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,003,606 | 8.336 | 0.002 | 18.259 | 0.005 | 15.183 | 0.004 | 90 | null | 91.58 | 0.02 | 90 | null | 2,310.1 | 1 | 173 | 2 | 293 | 2 | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | - C20 H30 I2 P2 - | - C20 H30 I2 P2 - | - C80 H120 I8 P8 - | 4 | 1 | SH1103 | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N. | 1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1139 | 1141 | 10.1107/S0108270194013272 | 0.71073 | MoKα | 0.1039 | 0.0703 | null | 0.183 | 0.1456 | null | null | null | 1.532 | 1.554 | 1.554 | null | null | null | has coordinates | Stammler, H.-G.; Jutzi, P.; Neumann, B.; Brusdeilins, N.
1,2-Diiod-1,2-bis(pentamethylcyclopentadienyl)diphosphan
Acta Crystallographica Section C
51(6)
(1995)
1139-1141 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,607 | 13.829 | 0.002 | 13.829 | 0.002 | 26.687 | 0.004 | 90 | null | 90 | null | 120 | null | 4,419.9 | 1.1 | 233 | 2 | null | null | null | null | null | null | 5 | R 3 c :H | R 3 -2"c | 161 | - C30 H39 O3 P S - | - C30 H39 O3 P S - | - C180 H234 O18 P6 S6 - | 6 | 0.333333 | SH1106 | Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G. | Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1207 | 1209 | 10.1107/S0108270194013624 | 0.71069 | MoKα | null | 0.044 | null | null | 0.107 | null | null | null | null | 1.118 | 1.118 | null | null | null | has coordinates | Büyükgüngör, O.; Odabaşoğlu, M.; Gümrükçüoğlu, İ. E.; Eichhorn, K.; Mattern, G.
Tris(<i>O</i>-4-<i>tert</i>-butylphenyl)thiophosphate, C~30~H~39~O~3~PS
Acta Crystallographica Section C
51(6)
(1995)
1207-1209 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,608 | 13.526 | 0.007 | 7.801 | 0.007 | 8.706 | 0.011 | 90 | null | 109.14 | 0.05 | 90 | null | 867.8 | 1.4 | 293 | null | null | null | null | null | null | null | see text | 5 | C 1 2/c 1 | -C 2yc | 15 | - C2 H10 Cr2 N2 O7 - | - C2 H10 Cr2 N2 O7 - | - C8 H40 Cr8 N8 O28 - | 4 | 0.5 | SH1107 | Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L. | Ethylenediaminium Dichromate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1073 | 1075 | 10.1107/S0108270194014836 | 0.71073 | MoKα | null | 0.0223 | null | null | 0.0733 | null | null | null | null | 0.837 | 0.837 | null | null | null | has coordinates | Lorenzo-Luis, P. A.; Martín-Zarza, P.; Gili, P.; Arrieta, J. M.; Germain, G.; Dupont, L.
Ethylenediaminium Dichromate
Acta Crystallographica Section C
51(6)
(1995)
1073-1075 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,609 | 9.68 | 0.005 | 12.846 | 0.005 | 16.944 | 0.006 | 90 | null | 90 | null | 90 | null | 2,107 | 1.6 | 293 | null | null | null | null | null | null | null | synthesized in our own laboratory | 5 | P 21 21 21 | P 2ac 2ab | 19 | - C23 H26 Cl2 O Ti - | - C23 H26 Cl2 O Ti - | - C92 H104 Cl8 O4 Ti4 - | 4 | 1 | TA1007 | Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T. | Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1065 | 1067 | 10.1107/S0108270194013910 | 0.71069 | MoKα | null | 0.066 | null | null | 0.086 | null | null | null | null | 1.09 | 1.09 | null | null | null | has coordinates | Tian, J.; Hu, N.-H.; Shen, Q.; Huang, B.-T.
Dichloro(η^5^-cyclopentadienyl){[1-(4-methoxyphenyl)cyclohexyl]-η^5^-cyclopentadienyl}titanium(IV)
Acta Crystallographica Section C
51(6)
(1995)
1065-1067 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
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2,003,610 | 14.648 | 0.002 | 9.8802 | 0.0005 | 10.9 | 0.001 | 90 | null | 134.984 | 0.003 | 90 | null | 1,115.8 | 0.2 | 300 | null | null | null | null | null | null | null | 5 | C 1 2 1 | C 2y | 5 | - C22 H27 Cl2 N Sn - | - C22 H27 Cl2 N Sn - | - C44 H54 Cl4 N2 Sn2 - | 2 | 0.5 | TA1012 | Ng, S. W. | Tetramethylammonium Dichlorotriphenylstannate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1124 | 1125 | 10.1107/S0108270194014678 | 0.71073 | MoKα | null | 0.02 | null | null | 0.025 | null | null | null | null | 0.389 | 0.389 | null | null | null | has coordinates | Ng, S. W.
Tetramethylammonium Dichlorotriphenylstannate
Acta Crystallographica Section C
51(6)
(1995)
1124-1125 | 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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2,003,611 | 15.964 | 0.003 | 13.603 | 0.001 | 10.835 | 0.002 | 90 | null | 97 | 0.007 | 90 | null | 2,335.4 | 0.6 | 298 | null | 293 | null | null | null | null | null | 6 | C 1 2/c 1 | -C 2yc | 15 | diaqua-2,13-dimethyl-3,12,18-triaza-6,9-dioxabicyclo[12.3.1]octadeca- 1(18),2,12,14,16-pentaenemagnesium(II) perchlorate | - C15 H25 Cl2 Mg N3 O12 - | - C15 H25 Cl2 Mg N3 O12 - | - C60 H100 Cl8 Mg4 N12 O48 - | 4 | 0.5 | TA1014 | Othman, A. H.; Ng, S. W. | Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1059 | 1060 | 10.1107/S0108270194014848 | 0.71073 | MoKα | 0.1008 | 0.0675 | null | 0.1994 | 0.17 | null | null | null | 1.062 | 1.099 | 1.099 | null | null | null | has coordinates | Othman, A. H.; Ng, S. W.
Diaqua[2,13-dimethyl-3,12,18-triaza-6,9-dioxa-bicyclo[12.3.1]octadeca-1(18),2,12,14,16-pentaene]magnesium(II) Diperchlorate
Acta Crystallographica Section C
51(6)
(1995)
1059-1060 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,612 | 16.38 | 0.003 | 5.5227 | 0.0005 | 17.355 | 0.003 | 90 | null | 108.78 | 0.08 | 90 | null | 1,486.4 | 0.8 | 300 | null | null | null | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C13 H16 N2 O5 S - | - C13 H16 N2 O5 S - | - C52 H64 N8 O20 S4 - | 4 | 1 | TA1018 | Ng, S. W. | <i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1143 | 1144 | 10.1107/S0108270194012382 | 0.71073 | MoKα | null | 0.06 | null | null | 0.069 | null | null | null | null | 0.465 | 0.465 | null | null | null | has coordinates | Ng, S. W.
<i>S</i>-Benzylisothiouronium Hydrogen 2-Oxopentanedioate, C~8~H~11~N~2~S^+^.C~5~H~5~O~5~^{-^}
Acta Crystallographica Section C
51(6)
(1995)
1143-1144 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,613 | 13.247 | 0.003 | 6.769 | 0.001 | 7.302 | 0.001 | 90 | null | 107.39 | 0.02 | 90 | null | 624.8 | 0.2 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | di-chloro-bis(1-ethyltetrazole)copper(II) | trans-di-chloro-bis(1-ethyltetrazole-N^4^)copper(II) | - C6 H12 Cl2 Cu N8 - | - C6 H12 Cl2 Cu N8 - | - C12 H24 Cl4 Cu2 N16 - | 2 | 0.5 | VS1015 | Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A. | <i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II) | Acta Crystallographica Section C | 1,995 | 51 | 6 | 1084 | 1087 | 10.1107/S0108270194013429 | 1.54178 | CuKα | 0.0628 | 0.0611 | null | 0.1663 | 0.1636 | null | null | null | 1.065 | 1.088 | 1.088 | null | null | null | has coordinates | Virovets, A. V.; Podberezskaya, N. V.; Lavrenova, L. G.; Bikzhanova, G. A.
<i>trans</i>-Dichlorobis(1-ethyltetrazole-<i>N</i>^4^)copper(II)
Acta Crystallographica Section C
51(6)
(1995)
1084-1087 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,614 | 5.335 | 0.002 | 10.625 | 0.002 | 11.886 | 0.002 | 109.36 | 0.02 | 96.47 | 0.02 | 90.56 | 0.02 | 630.8 | 0.3 | 298 | null | null | null | null | null | null | null | slow recrystallization from DMF | 5 | P -1 | -P 1 | 2 | - C12 H12 N4 O2 S - | - C12 H12 N4 O2 S - | - C24 H24 N8 O4 S2 - | 2 | 1 | AB1125 | Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A. | 6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1392 | 1394 | 10.1107/S0108270194013831 | 0.71069 | MoKα | null | 0.061 | null | null | 0.068 | null | null | null | null | 1.11 | 1.11 | null | null | null | has coordinates | Pomés Hernández, R.; Duque Rodríguez, J.; García Trimiño, M. I.; Novoa de Armas, H.; Toscano, R. A.
6-Methylamino-4-methylthio-5-nitro-2-phenylpyrimidine
Acta Crystallographica Section C
51(7)
(1995)
1392-1394 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,615 | 10.412 | 0.003 | 12.9 | 0.002 | 16.892 | 0.005 | 81.48 | 0.03 | 73.48 | 0.03 | 79.6 | 0.02 | 2,128.1 | 1 | 293 | 1 | null | null | null | null | null | null | 3 | P -1 | -P 1 | 2 | - C48 H64 O2 - | - C48 H64 O2 - | - C96 H128 O4 - | 2 | 1 | AB1130 | Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S. | 1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1465 | 1467 | 10.1107/S0108270194014150 | 0.7107 | MoKα | null | 0.07 | null | null | 0.08 | null | null | null | null | 2.38 | 2.38 | null | null | null | has coordinates | Ting, Y.; Verboom, W.; Reinhoudt, D. N.; Harkema, S.
1,3-Diethoxy-2,4-didehydroxy-<i>p</i>-<i>tert</i>-butylcalix[4]arene
Acta Crystallographica Section C
51(7)
(1995)
1465-1467 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,616 | 9.093 | 0.007 | 12.108 | 0.009 | 12.599 | 0.008 | 64.1 | 0.04 | 80.35 | 0.05 | 87.61 | 0.06 | 1,229.4 | 1.6 | 178 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H80 Ni2 O16 Sb4 - | - C32 H80 Ni2 O16 Sb4 - | - C32 H80 Ni2 O16 Sb4 - | 1 | 0.5 | AB1151 | Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G. | Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1260 | 1263 | 10.1107/S0108270195000783 | 0.71073 | MoKα | null | 0.033 | null | null | 0.038 | null | null | null | null | null | null | null | null | null | has coordinates | Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.
Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn
Acta Crystallographica Section C
51(7)
(1995)
1260-1263 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,617 | 9.143 | 0.004 | 12.318 | 0.004 | 12.798 | 0.004 | 63.65 | 0.02 | 79.9 | 0.02 | 86.86 | 0.02 | 1,271.1 | 0.8 | 178 | 1 | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C32 H80 Mn2 O16 Sb4 - | - C32 H80 Mn2 O16 Sb4 - | - C32 H80 Mn2 O16 Sb4 - | 1 | 0.5 | AB1151 | Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G. | Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1260 | 1263 | 10.1107/S0108270195000783 | 0.71073 | MoKα | null | 0.039 | null | null | 0.054 | null | null | null | null | null | null | null | null | null | has coordinates | Bemm, U.; Norrestam, R.; Nygren, M.; Westin, G.
Two Transition-Metal Antimony Ethoxides: <i>M</i>~2~Sb~4~(OEt)~16~; <i>M</i> = Ni or Mn
Acta Crystallographica Section C
51(7)
(1995)
1260-1263 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,618 | 10.879 | 0.005 | 17.591 | 0.007 | 10.649 | 0.005 | 102.96 | 0.04 | 97.46 | 0.03 | 81.64 | 0.03 | 1,954.9 | 1.5 | 296 | null | null | null | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C40 H38 P2 Pd2 S4 - | - C40 P2 Pd2 S4 - | - C80 P4 Pd4 S8 - | 2 | 1 | AB1192 | Cao, R.; Hong, M.; Jiang, F.; Liu, H. | A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1280 | 1282 | 10.1107/S0108270194015076 | 0.71073 | MoKα | null | 0.041 | null | null | 0.047 | null | null | null | null | 3.327 | 3.327 | null | null | null | has coordinates | Cao, R.; Hong, M.; Jiang, F.; Liu, H.
A Dinuclear Palladium Compound, [Pd~2~(PPh~3~)~2~(SC~2~H~4~S)~2~]
Acta Crystallographica Section C
51(7)
(1995)
1280-1282 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,619 | 12.841 | 0.007 | 8.113 | 0.004 | 14.219 | 0.007 | 90 | null | 115.89 | 0.04 | 90 | null | 1,332.6 | 1.3 | 293 | 2 | 293 | 2 | null | null | null | null | 3 | P 1 21/c 1 | -P 2ybc | 14 | 7-Hydroxy-4'-methoxy Flavanone | - C16 H14 O4 - | - C16 H14 O4 - | - C64 H56 O16 - | 4 | 1 | AB1220 | Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C. | 7-Hydroxy-4'-methoxyflavanone | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1442 | 1444 | 10.1107/S010827019500062X | 0.71073 | MoKα | 0.1035 | 0.0598 | null | 0.1868 | 0.1614 | null | null | null | 1.075 | 1.276 | 1.276 | null | null | null | has coordinates,has disorder | Kendi, E.; Özbey, S.; Ertan, R.; Fun, H.-K.; Yip, B.-C.
7-Hydroxy-4'-methoxyflavanone
Acta Crystallographica Section C
51(7)
(1995)
1442-1444 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,620 | 5.894 | 0.003 | 12.954 | 0.001 | 23.602 | 0.002 | 90 | null | 90 | null | 90 | null | 1,802 | 0.9 | 293 | null | null | null | null | null | null | null | The material was supplied by Aldrich and recrystallized from toluene | 3 | F 2 d d | F -2d 2 | 43 | - C12 H8 F2 - | - C12 H8 F2 - | - C96 H64 F16 - | 8 | 0.5 | AB1225 | Rajnikant; Watkin, D.; Tranter, G. | Disordered Fluorine in 2-Fluorobiphenyl | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1452 | 1454 | 10.1107/S0108270195000631 | 1.54184 | CuKα | null | 0.04534 | null | null | 0.06006 | null | null | null | null | 0.85 | 0.85 | null | null | null | has coordinates | Rajnikant; Watkin, D.; Tranter, G.
Disordered Fluorine in 2-Fluorobiphenyl
Acta Crystallographica Section C
51(7)
(1995)
1452-1454 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,621 | 5.9268 | 0.0002 | 19.6263 | 0.0015 | 22.9946 | 0.0024 | 90 | null | 93.853 | 0.006 | 90 | null | 2,668.7 | 0.4 | 295 | null | null | null | null | null | null | null | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C19 H15 Cl3 N12 O8 - | - C19 H15 Cl3 N12 O10 - | - C76 H60 Cl12 N48 O40 - | 4 | 1 | AB1234 | Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J. | The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1401 | 1404 | 10.1107/S010827019500028X | 1.5418 | CuKα | null | 0.062 | null | null | 0.071 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Llamas-Saiz, A. L.; Foces-Foces, C.; Echevarría, A.; Elguero, J.
The Relative Basicities of Tris(pyrazol-1-yl)-1,3,5-triazine (TPT), Water and the Picrate Anion in the Solid State
Acta Crystallographica Section C
51(7)
(1995)
1401-1404 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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4,322,369 | 8.405 | 0.003 | 11.26 | 0.006 | 12.265 | 0.005 | 67.97 | 0.04 | 84.3 | 0.03 | 88.5 | 0.04 | 1,070.6 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C21 H19 Fe N O2 S4 - | - C21 H19 Fe N O2 S4 - | - C42 H38 Fe2 N2 O4 S8 - | 2 | 1 | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann | Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethylpyridine(2-); pyS4^2-^ = 2,6-Bis(2-mercaptopheny... | Inorganic Chemistry | 1,999 | 38 | 5314 | 5322 | 10.1021/ic990169h | 0.71073 | MoKα | 0.0388 | 0.0268 | null | 0.0686 | 0.0662 | null | null | null | 0.923 | 1.035 | 1.035 | null | null | null | has coordinates | Dieter Sellmann; Jürgen Utz; Frank W. Heinemann
Transition Metal Complexes with Sulfur Ligands. 136.1 Enforced Trans Coordination of Thiolate Donors in Electron Rich Iron, Ruthenium, and Nickel [M(L)(pyN~2~H~2~S~2~)] and [M(L)(pyS~4~)] Complexes (L = CO, PPh~3~, DMSO) (pyN2H2S22-= 2,6-Bis(2-mercaptophenylamino)dimethyl... | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,622 | 21.8247 | 0.0007 | 21.8247 | 0.0007 | 11.1964 | 0.0004 | 90 | null | 90 | null | 120 | null | 4,618.5 | 0.3 | 295 | null | null | null | null | null | null | null | 3 | P 62 | P 62 | 171 | - C17 H20 O2 - | - C17 H20.5 O2 - | - C204 H246 O24 - | 12 | 2 | AB1235 | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. | A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1447 | 1452 | 10.1107/S0108270195000801 | 1.5418 | CuKα | null | 0.055 | null | null | 0.074 | null | null | null | null | 1.05 | 1.05 | null | null | null | has coordinates | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
51(7)
(1995)
1447-1452 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,623 | 25.5347 | 0.0033 | 17.3004 | 0.0014 | 7.6486 | 0.0003 | 90 | null | 90 | null | 90 | null | 3,378.8 | 0.5 | 295 | null | null | null | null | null | null | null | 3 | I b a 2 | I 2 -2c | 45 | - C23 H20 O2 - | - C23 H20 O2 - | - C184 H160 O16 - | 8 | 1 | AB1235 | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. | A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1447 | 1452 | 10.1107/S0108270195000801 | 1.5418 | CuKα | null | 0.035 | null | null | 0.039 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
51(7)
(1995)
1447-1452 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,624 | 11.6039 | 0.0005 | 31.6071 | 0.0019 | 6.2398 | 0.0002 | 90 | null | 102.22 | 0.003 | 90 | null | 2,236.69 | 0.18 | 295 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C52 H71 N O4 - | - C52 H71 N O4 - | - C104 H142 N2 O8 - | 2 | 1 | AB1235 | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C. | A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1447 | 1452 | 10.1107/S0108270195000801 | 1.5418 | CuKα | null | 0.049 | null | null | 0.056 | null | null | null | null | 1.15 | 1.15 | null | null | null | has coordinates | Llamas-Saiz, A. L.; Foces-Foces, C.; Weber, E.; Wimmer, C.
A Crystalline Inclusion Compound and Two Host Structures Containing Chiral Molecules Derived from Lactic Acid
Acta Crystallographica Section C
51(7)
(1995)
1447-1452 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,625 | 7.487 | 0.002 | 15.47 | 0.007 | 8.131 | 0.007 | 90 | null | 109.55 | 0.03 | 90 | null | 887.5 | 0.9 | 293 | 2 | 293 | 2 | null | null | null | null | Lab. of Medicinal Chemistry, Liège | 5 | P 1 21/a 1 | -P 2yab | 14 | 3-amino-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide monohydrate | - C6 H8 N4 O3 S - | - C6 H8 N4 O3 S - | - C24 H32 N16 O12 S4 - | 4 | 1 | AB1238 | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. | 3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1385 | 1388 | 10.1107/S0108270195000278 | 1.5418 | CuKα | 0.0466 | 0.0342 | null | 0.1035 | 0.1002 | null | null | null | 1.062 | 1.173 | 1.173 | null | null | null | has coordinates | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.
3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
51(7)
(1995)
1385-1388 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,626 | 9.802 | 0.009 | 11.682 | 0.009 | 10.384 | 0.016 | 90 | null | 108 | 0.1 | 90 | null | 1,131 | 2 | 293 | 2 | 293 | 2 | null | null | null | null | Lab. of Medicinal Chemistry, Liège | 5 | P 1 21/a 1 | -P 2yab | 14 | 3-tert butyl-4H-pyrido[4,3-e]-1,2,4-thiadiazine 1,1-dioxide | - C10 H13 N3 O2 S - | - C10 H13 N3 O2 S - | - C40 H52 N12 O8 S4 - | 4 | 1 | AB1238 | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J. | 3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1385 | 1388 | 10.1107/S0108270195000278 | 1.5418 | CuKα | 0.0489 | 0.0443 | null | 0.1297 | 0.1276 | null | null | null | 1.103 | 1.16 | 1.16 | null | null | null | has coordinates | Dupont, L.; Pirotte, B.; de Tullio, P.; Masereel, B.; Delarge, J.
3-Amino-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide Monohydrate and 3-<i>tert</i>-Butyl-4<i>H</i>-pyrido[4,3-<i>e</i>]-1,2,4-thiadiazine 1,1-Dioxide
Acta Crystallographica Section C
51(7)
(1995)
1385-1388 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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4,322,368 | 9.907 | 0.002 | 10.722 | 0.002 | 14.162 | 0.003 | 81.95 | 0.03 | 89.62 | 0.03 | 82.69 | 0.03 | 1,477.3 | 0.5 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | - C42 H84 K4 O10 Sn2 - | - C10.485 K O2.5 Sn0.5 - | - C41.94 K4 O10 Sn2 - | 4 | 2 | Michael Veith; Charu Mathur; Sanjay Mathur; Volker Huch | Unusual Sandwiching of the Cyclopentadienyl Anion in [K4(C5H5)2M2(OBut)6(CH3OCH2CH2OCH3)2]n (M = Ge, Sn) | Inorganic Chemistry | 1,999 | 38 | 5461 | 5463 | 10.1021/ic9814120 | 0.71073 | MoKα | 0.0543 | 0.046 | null | null | 0.1339 | 0.1396 | null | null | null | null | null | 1.044 | null | null | has coordinates | Michael Veith; Charu Mathur; Sanjay Mathur; Volker Huch
Unusual Sandwiching of the Cyclopentadienyl Anion in [K4(C5H5)2M2(OBut)6(CH3OCH2CH2OCH3)2]n (M = Ge, Sn)
Inorganic Chemistry
38
(1999)
5461-5463 | 179,326 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,627 | 9.315 | 0.003 | 12.995 | 0.005 | 8.913 | 0.003 | 105.63 | 0.03 | 104.29 | 0.03 | 69.98 | 0.03 | 961.9 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P -1 | -P 1 | 2 | (3-chloro-1,2-propanediolato)bis(2,3-dimethyl-2,3- butanediolato)tungsten(VI) | - C15 H29 Cl O6 W - | - C15 H29 Cl O6 W - | - C30 H58 Cl2 O12 W2 - | 2 | 1 | AB1247 | Lehtonen, A.; Sillanpää, R. | (3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI) | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1270 | 1271 | 10.1107/S0108270195000485 | 0.71069 | MoKα | 0.0813 | 0.0466 | null | 0.1225 | 0.1091 | null | null | null | 1.056 | 1.076 | 1.076 | null | null | null | has coordinates | Lehtonen, A.; Sillanpää, R.
(3-Chloro-1,2-propanediolato-<i>O</i>,<i>O</i>')bis(2,3-dimethyl-2,3-butanediolato-<i>O</i>,<i>O</i>')tungsten(VI)
Acta Crystallographica Section C
51(7)
(1995)
1270-1271 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,628 | 10.352 | 0.002 | 7.119 | 0.001 | 10.652 | 0.002 | 90 | null | 104.89 | 0.03 | 90 | null | 758.6 | 0.3 | 130 | 2 | 130 | 2 | null | null | null | null | evaporation from hexane/dichloromethane | 5 | P 1 21 1 | P 2yb | 4 | methyl (S)-2-benzenesulfonyloxy-4-bromo-4-methylpentanoate | - C13 H17 Br O5 S - | - C13 H17 Br O5 S - | - C26 H34 Br2 O10 S2 - | 2 | 1 | AB1251 | Shaw, J. P.; Tan, E. W.; Blackman, A. G. | Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1411 | 1412 | 10.1107/S0108270195001818 | 0.71073 | MoKα | 0.0555 | 0.04 | null | 0.0898 | 0.0829 | null | null | null | 1.05 | 1.068 | 1.068 | null | null | null | has coordinates | Shaw, J. P.; Tan, E. W.; Blackman, A. G.
Homochiral Methyl (<i>S</i>)-2-Benzenesulfonyloxy-4-bromo-4-methylpentanoate
Acta Crystallographica Section C
51(7)
(1995)
1411-1412 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,629 | 9.834 | 0.005 | 10.973 | 0.006 | 11.51 | 0.006 | 112.51 | 0.02 | 89.56 | 0.02 | 107.24 | 0.02 | 1,087.9 | 1 | 295 | 2 | 295 | 2 | null | null | null | null | 3 | P -1 | -P 1 | 2 | anthracenecarboxylic anhydride | 5,5'-di(anthracenecarboxylic) anhydride | - C30 H18 O3 - | - C30 H18 O3 - | - C60 H36 O6 - | 2 | 1 | AB1274 | Blake, A. J.; Grimditch, R. S.; Schröder, M. | 5,5'-Di(anthracenecarboxylic) Anhydride | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1472 | 1474 | 10.1107/S0108270195004306 | 0.71073 | MoKα | 0.0935 | 0.0555 | null | 0.1724 | 0.1285 | null | null | null | 1.042 | 1.07 | 1.07 | null | null | null | has coordinates | Blake, A. J.; Grimditch, R. S.; Schröder, M.
5,5'-Di(anthracenecarboxylic) Anhydride
Acta Crystallographica Section C
51(7)
(1995)
1472-1474 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,630 | 6.466 | 0.003 | 4.634 | 0.002 | 10.755 | 0.005 | 90 | null | 94.74 | 0.04 | 90 | null | 321.2 | 0.3 | 293 | null | null | null | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | - C5 H4 N2 O4 - | - C5 H4 N2 O4 - | - C10 H8 N4 O8 - | 2 | 1 | AS1123 | Stash, A. I.; Zavodnik, V. E.; Belsky, V. K. | A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1303 | 1304 | 10.1107/S0108270194011042 | 0.71069 | MoKα | null | 0.03 | null | null | 0.08 | null | null | null | null | 1.13 | 1.13 | null | null | null | has coordinates | Stash, A. I.; Zavodnik, V. E.; Belsky, V. K.
A <i>Z</i> Isomer of 5-Nitrofuran-2-aldoxime
Acta Crystallographica Section C
51(7)
(1995)
1303-1304 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,631 | 10.086 | 0.003 | 8.829 | 0.002 | 10.503 | 0.002 | 90 | null | 103.43 | 0.02 | 90 | null | 909.7 | 0.4 | 296 | null | null | null | null | null | null | null | 3 | P 1 21/n 1 | -P 2yn | 14 | - C9 H10 O5 - | - C9 H10 O5 - | - C36 H40 O20 - | 4 | 1 | AS1143 | Okabe, N.; Suga, T.; Kohyama, Y. | <small>DL</small>-4-Hydroxy-3-methoxymandelic Acid | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1322 | 1324 | 10.1107/S0108270194013259 | 0.71069 | MoKα | null | 0.047 | null | null | 0.054 | null | null | null | null | 1.71 | 1.71 | null | null | null | has coordinates | Okabe, N.; Suga, T.; Kohyama, Y.
<small>DL</small>-4-Hydroxy-3-methoxymandelic Acid
Acta Crystallographica Section C
51(7)
(1995)
1322-1324 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,632 | 13.945 | 0.009 | 15.406 | 0.008 | 13.83 | 0.008 | 90 | null | 90 | null | 90 | null | 2,971 | 3 | 295 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C13 H16 Br2 O4 - | - C13 H16 Br2 O4 - | - C104 H128 Br16 O32 - | 8 | 1 | AS1147 | Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S. | Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1397 | 1399 | 10.1107/S0108270195001235 | 0.71073 | MoKα | null | 0.047 | null | null | 0.03 | null | null | null | null | 1.53 | 1.53 | null | null | null | has coordinates | Satake, K.; Itoh, H.; Kimura, M.; Morosawa, S.; Kashino, S.
Dimethyl 4-<i>exo</i>,9-<i>endo</i>-Dibromobicyclo[3.3.1]non-2-ene-2,3-dicarboxylate
Acta Crystallographica Section C
51(7)
(1995)
1397-1399 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,633 | 11.528 | 0.003 | 9.166 | 0.001 | 14.655 | 0.002 | 90 | null | 90 | null | 90 | null | 1,548.5 | 0.5 | 296 | null | null | null | null | null | null | null | 4 | P b c a | -P 2ac 2ab | 61 | - C8 H7 N3 O - | - C8 H7 N3 O - | - C64 H56 N24 O8 - | 8 | 1 | AS1148 | Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q. | Phenyl Carbamidonitrile | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1412 | 1414 | 10.1107/S0108270194014290 | 0.71073 | MoKα | null | 0.0436 | null | null | 0.0455 | null | null | null | null | 1.51 | 1.51 | null | null | null | has coordinates | Yang, Q.-C.; Huang, D.-M.; Chen, H.-Y.; Tang, Y.-Q.
Phenyl Carbamidonitrile
Acta Crystallographica Section C
51(7)
(1995)
1412-1414 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,634 | 4.867 | 0.002 | 6.895 | 0.002 | 20.2 | 0.006 | 90 | null | 95.23 | 0.01 | 90 | null | 675 | 0.4 | 293 | null | null | null | null | null | null | null | see text | 3 | P 1 21/n 1 | -P 2yn | 14 | - C7 H8 O3 - | - C7 H8 O3 - | - C28 H32 O12 - | 4 | 1 | AS1151 | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. | Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1335 | 1338 | 10.1107/S010827019401423X | 0.71073 | MoKα | null | 0.077 | null | null | 0.104 | null | null | null | null | 1.83 | 1.83 | null | null | null | has coordinates | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
51(7)
(1995)
1335-1338 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,635 | 20.828 | 0.003 | 20.828 | 0.003 | 7.832 | 0.002 | 90 | null | 90 | null | 120 | null | 2,942.4 | 1 | 293 | null | null | null | null | null | null | null | see text | 3 | R -3 :H | -R 3 | 148 | - C7 H8 O3 - | - C7 H8 O3 - | - C126 H144 O54 - | 18 | 1 | AS1151 | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. | Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1335 | 1338 | 10.1107/S010827019401423X | 0.71073 | MoKα | null | 0.0408 | null | null | 0.057 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
51(7)
(1995)
1335-1338 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,636 | 7.144 | 0.003 | 7.641 | 0.002 | 7.7 | 0.004 | 62.13 | 0.01 | 68.28 | 0.01 | 76.39 | 0.01 | 344.2 | 0.3 | 293 | null | null | null | null | null | null | null | see text | 3 | P -1 | -P 1 | 2 | - C7 H8 O3 - | - C7 H8 O3 - | - C14 H16 O6 - | 2 | 1 | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E. | Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol) | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1335 | 1338 | 10.1107/S010827019401423X | 0.71073 | MoKα | null | 0.0519 | null | null | 0.0733 | null | null | null | null | 1.1 | 1.1 | null | null | null | has coordinates | Brown, S. D.; Burgess, J.; Fawcett, J.; Parsons, S. A.; Russell, D. R.; Waltham, E.
Three Polymorphic Forms of 2-Ethyl-3-hydroxy-4-pyranone (Ethyl Maltol)
Acta Crystallographica Section C
51(7)
(1995)
1335-1338 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,637 | 6.807 | 0.001 | 8.5813 | 0.0009 | 13.994 | 0.004 | 90 | null | 98.2 | 0.01 | 90 | null | 809.1 | 0.3 | 298 | 2 | null | null | null | null | null | null | see text | 5 | P 1 21/n 1 | -P 2yn | 14 | - C6 H8 Cl N O3 - | - C6 H8 Cl N O3 - | - C24 H32 Cl4 N4 O12 - | 4 | 1 | AS1154 | Smith, G.; Byriel, K. A.; Kennard, C. H. L. | 2-Carboxypyridinium Chloride Monohydrate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1425 | 1427 | 10.1107/S0108270195000175 | 0.71073 | MoKα | null | 0.039 | null | null | 0.095 | null | null | null | null | 1.01 | 1.01 | null | null | null | has coordinates | Smith, G.; Byriel, K. A.; Kennard, C. H. L.
2-Carboxypyridinium Chloride Monohydrate
Acta Crystallographica Section C
51(7)
(1995)
1425-1427 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,638 | 11.356 | 0.002 | 5.358 | 0.001 | 14.122 | 0.002 | 90 | null | 105.94 | null | 90 | null | 826.2 | 0.2 | 296 | null | null | null | null | null | null | null | evaporation from water | 3 | P 1 21/c 1 | -P 2ybc | 14 | - C9 H10 O3 - | - C9 H10 O3 - | - C36 H40 O12 - | 4 | 1 | AS1155 | Okabe, N.; Suga, T. | 3-(<i>p</i>-Hydroxyphenyl)propionic Acid | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1324 | 1325 | 10.1107/S0108270194014964 | 0.71069 | MoKα | null | 0.05 | null | null | 0.063 | null | null | null | null | 2.44 | 2.44 | null | null | null | has coordinates | Okabe, N.; Suga, T.
3-(<i>p</i>-Hydroxyphenyl)propionic Acid
Acta Crystallographica Section C
51(7)
(1995)
1324-1325 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,639 | 14.298 | 0.003 | 14.4 | 0.003 | 27.187 | 0.003 | 90 | null | 91.54 | 0.01 | 90 | null | 5,595.5 | 1.8 | 296 | 1 | null | null | null | null | null | null | 4 | C 1 2/c 1 | -C 2yc | null | - C17 H14 N2 O2 - | - C17 H14 N2 O2 - | - C272 H224 N32 O32 - | 16 | 2 | BK0003 | Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M. | Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1310 | 1314 | 10.1107/S0108270194007389 | 1.54178 | CuKα | null | 0.038 | null | null | 0.056 | null | null | null | null | 1.21 | 1.21 | null | null | null | has coordinates | Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.
Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone
Acta Crystallographica Section C
51(7)
(1995)
1310-1314 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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4,322,367 | 19.056 | 0.003 | 11.248 | 0.001 | 16.188 | 0.003 | 90 | null | 90 | null | 90 | null | 3,469.8 | 0.9 | 294.2 | null | 294 | null | null | null | null | null | 7 | I b a 2 | I 2 -2c | 45 | - C25 H41 Cl N6 O4 Pd2 S4 - | - C25 H41 Cl N6 O4 Pd2 S4 - | - C100 H164 Cl4 N24 O16 Pd8 S16 - | 4 | 0.5 | Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury | Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations | Inorganic Chemistry | 1,999 | 38 | 5453 | 5456 | 10.1021/ic9813720 | 0.71073 | MoKα | null | 0.033 | null | null | 0.0377 | null | null | null | null | 1.99 | 1.99 | null | null | null | has coordinates | Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
Inorganic Chemistry
38
(1999)
5453-5456 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,640 | 11.44 | 0.004 | 9.11 | 0.007 | 13.51 | 0.009 | 90 | null | 90.8 | 0.3 | 90 | null | 1,407.9 | 1.5 | 293 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | null | - C17 H14 N2 O2 - | - C17 H14 N2 O2 - | - C68 H56 N8 O8 - | 4 | 1 | BK0003 | Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M. | Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1310 | 1314 | 10.1107/S0108270194007389 | 0.7107 | MoKα | null | 0.063 | null | null | 0.077 | null | null | null | null | 2.19 | 2.19 | null | null | null | has coordinates | Akama, Y.; Shiro, M.; Ueda, T.; Kajitani, M.
Keto and Enol Tautomers of 4-Benzoyl-3-methyl-1-phenyl-5(2<i>H</i>)-pyrazolone
Acta Crystallographica Section C
51(7)
(1995)
1310-1314 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,641 | 10.33 | 0.001 | 24.092 | 0.001 | 21.543 | 0.001 | 90 | null | 97.89 | 0.01 | 90 | null | 5,310.7 | 0.6 | 127 | 2 | 127 | 2 | null | null | null | null | 6 | P 1 21/n 1 | -P 2yn | 14 | Diaquo-5,10,15,20-(Tetraphenylporphinato)iron(III) Perchlorate | - C44 H32 Cl Fe N4 O6 - | - C44 H32 Cl Fe N4 O6 - | - C264 H192 Cl6 Fe6 N24 O36 - | 6 | 1.5 | BK1091 | Cheng, B.; Scheidt, W. R. | Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~ | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1271 | 1275 | 10.1107/S0108270195001028 | 0.71073 | MoKα | 0.1133 | 0.0684 | null | 0.1939 | 0.1657 | null | null | null | 1.057 | 1.156 | 1.156 | null | null | null | has coordinates | Cheng, B.; Scheidt, W. R.
Diaqua(5,10,15,20-tetraphenylporphinato)iron(III) Perchlorate, [Fe(C~44~H~28~N~4~)(H~2~O)~2~]ClO~4~
Acta Crystallographica Section C
51(7)
(1995)
1271-1275 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,642 | 32.456 | 0.005 | 5.674 | 0.002 | 3.995 | 0.002 | 90 | null | 90 | null | 90 | null | 735.7 | 0.5 | 296 | null | null | null | null | null | null | null | 3 | P n n 2 | P 2 -2n | 34 | - Nb5 O17 Sr5 - | - Nb5 O17 Sr5 - | - Nb10 O34 Sr10 - | 2 | 0.5 | BR1096 | Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G. | A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~ | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1243 | 1246 | 10.1107/S0108270195000977 | 0.71073 | MoKα | null | 0.0387 | null | null | 0.0449 | null | null | null | null | 3.396 | 3.396 | null | null | null | has coordinates | Schmalle, H. W.; Williams, T.; Reller, A.; Lichtenberg, F.; Widmer, D.; Bednorz, J. G.
A Novel Semiconducting Perovskite-Related Phase: Sr~5~Nb~5~O~17~
Acta Crystallographica Section C
51(7)
(1995)
1243-1246 | 176,435 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,643 | 6.7214 | 0.0006 | 13.8558 | 0.0007 | 7.2764 | 0.0004 | 90 | null | 105.927 | 0.006 | 90 | null | 651.64 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P 1 21/m 1 | -P 2yb | 11 | - Al4 F9 K3 O8 P2 - | - Al4 F9 K3 O8 P2 - | - Al8 F18 K6 O16 P4 - | 2 | 0.5 | BR1099 | Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N. | A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~] | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1246 | 1249 | 10.1107/S0108270195000576 | 1.54178 | CuKα | 0.0381 | 0.0333 | null | 0.0912 | 0.0879 | null | null | null | 1.03 | 1.056 | 1.056 | null | null | null | has coordinates | Massa, W.; Yakubovich, O. V.; Karimova, O. V.; Dem'yanets, L. N.
A New Type of Mixed Anionic Framework in the Structure of K~3~[Al~4~F~9~(PO~4~)~2~]
Acta Crystallographica Section C
51(7)
(1995)
1246-1249 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,644 | 7.479 | 0.002 | 12.221 | 0.005 | 19.306 | 0.006 | 90 | null | 90 | null | 90 | null | 1,764.6 | 1 | 295 | null | null | null | null | null | null | null | 7 | P 21 21 21 | P 2ac 2ab | 19 | - C10 H25 F2 N2 O5 P S - | - C10 H25 F2 N2 O5 P S - | - C40 H100 F8 N8 O20 P4 S4 - | 4 | 1 | CR1095 | Baenziger, N. C.; Burton, D. J.; Modak, A. S. | Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1355 | 1356 | 10.1107/S0108270194012254 | 0.71073 | MoKα | null | 0.034 | null | null | 0.056 | null | null | null | null | 1.17 | 1.17 | null | null | null | has coordinates | Baenziger, N. C.; Burton, D. J.; Modak, A. S.
Triethylammonium Isopropyl [(Aminosulfonyl)(difluoro)methyl]phosphonate
Acta Crystallographica Section C
51(7)
(1995)
1355-1356 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,645 | 7.37 | 0.001 | 10.919 | 0.002 | 9.887 | 0.001 | 90 | null | 108.45 | 0.01 | 90 | null | 754.74 | 0.19 | 293 | null | null | null | null | null | null | null | recrystallization from ethanol | 5 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H4 Br N O3 - | - C6 H4 Br N O3 - | - C24 H16 Br4 N4 O12 - | 4 | 1 | CR1140 | Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A. | 5-Bromo-2-(2-nitroethenyl)furan | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1368 | 1369 | 10.1107/S0108270194012394 | 0.71069 | MoKα | null | 0.05 | null | null | 0.06 | null | null | null | null | 1.61 | 1.61 | null | null | null | has coordinates | Pomés, R.; Duque, J.; Novoa, H.; Castañedo, N.; Toscano, A.
5-Bromo-2-(2-nitroethenyl)furan
Acta Crystallographica Section C
51(7)
(1995)
1368-1369 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,646 | 9.248 | 0.002 | 16.521 | 0.004 | 10.359 | 0.002 | 90 | null | 109.31 | 0.01 | 90 | null | 1,493.7 | 0.6 | 294 | null | null | null | null | null | null | null | 4 | P 1 21/a 1 | -P 2yab | 14 | - C15 H20 N2 O3 - | - C15 H20 N2 O3 - | - C60 H80 N8 O12 - | 4 | 1 | CR1149 | Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H. | An Unexpected Intermediate in the Synthesis of Substituted Pyridones | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1404 | 1407 | 10.1107/S0108270195001259 | 1.5406 | CuKα | null | 0.052 | null | null | 0.035 | null | null | null | null | 2.43 | 2.43 | null | null | null | has coordinates | Wireko, F. C.; Matthews, R. S.; Thoman, S. M.; Hennes, D. H.; Sickman, L. H.
An Unexpected Intermediate in the Synthesis of Substituted Pyridones
Acta Crystallographica Section C
51(7)
(1995)
1404-1407 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,647 | 7.986 | 0.001 | 12.798 | 0.003 | 5.481 | 0.001 | 94.08 | 0.02 | 95.45 | 0.01 | 95.81 | 0.01 | 552.94 | 0.18 | 296 | null | null | null | null | null | null | null | 6 | P -1 | -P 1 | 2 | - C6 H10 N Na O9 S - | - C6 H10 N Na O9 S - | - C12 H20 N2 Na2 O18 S2 - | 2 | 1 | CR1155 | Squattrito, P. J. | Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1282 | 1284 | 10.1107/S0108270195000849 | 0.71073 | MoKα | null | 0.031 | null | null | 0.032 | null | null | null | null | 1.74 | 1.74 | null | null | null | has coordinates | Squattrito, P. J.
Sodium 4-Hydroxy-3-nitrobenzenesulfonate Trihydrate
Acta Crystallographica Section C
51(7)
(1995)
1282-1284 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,648 | 5.502 | 0.001 | 15.384 | 0.001 | 9.918 | 0.002 | 90 | null | 93.43 | 0.02 | 90 | null | 838 | 0.2 | 295 | 2 | 295 | 2 | null | null | null | null | 4 | P 1 21 1 | P 2yb | 4 | 2',3'-dideoxy-3'-C-2'-N-[N(R)-methyl-5-(R)-ethoxycarbonyl-1,2-isoxazolidine] ribothymidine | - C15 H21 N3 O7 - | - C15 H21 N3 O7 - | - C30 H42 N6 O14 - | 2 | 1 | CR1159 | Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M. | 2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1462 | 1464 | 10.1107/S0108270194014332 | 0.7107 | MoKα | 0.0762 | 0.0369 | null | 0.1311 | 0.0834 | null | null | null | 1.05 | 1.091 | 1.091 | null | null | null | has coordinates,has disorder | Burkhart, B. M.; Papchikhin, A.; Chattopadhyaya, J.; Sundaralingam, M.
2',3'-Dideoxy-3'-<i>C</i>,2'-<i>N</i>-[(3<i>R</i>,5<i>R</i>)-5-ethoxycarbonyl-2-methyl-1,2-isoxazolidine]ribothymidine
Acta Crystallographica Section C
51(7)
(1995)
1462-1464 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,649 | 15.134 | 0.002 | 7.403 | 0.002 | 17.27 | 0.002 | 90 | null | 105.25 | 0.01 | 90 | null | 1,866.7 | 0.6 | 293 | null | 293 | null | null | null | null | null | synthesized by authors | 3 | P 1 21 1 | P 2yb | 4 | cholesteryl-4-octeneoxybenzoate | cholesteryl-4-octeneoxybenzoate | - C42 H64 O3 - | - C42 H64 O3 - | - C84 H128 O6 - | 2 | 1 | CR1163 | Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W. | Cholesteryl 4-(8-Octenyloxy)benzoate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1444 | 1447 | 10.1107/S010827019500093X | 0.71073 | MoKα | 0.163 | 0.059 | null | 0.079 | 0.05 | null | null | null | 1.492 | 1.549 | 1.549 | null | null | null | has coordinates,has Fobs | Chabinyc, M. L.; Fratini, A. V.; Socci, E. P.; Farmer, B. L.; Bunning, T. J.; Adams, W. W.
Cholesteryl 4-(8-Octenyloxy)benzoate
Acta Crystallographica Section C
51(7)
(1995)
1444-1447 | 176,432 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
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2,003,650 | 8.2796 | 0.0009 | 8.644 | 0.001 | 11.336 | 0.001 | 97.84 | 0.01 | 104.36 | 0.01 | 115.03 | 0.01 | 684.7 | 0.16 | 293 | null | null | null | null | null | null | null | see text | 5 | P -1 | -P 1 | 2 | - C14 H12 Cl2 N2 O - | - C14 H12 Cl2 N2 O - | - C28 H24 Cl4 N4 O2 - | 2 | 1 | CR1173 | Mague, J. T.; De, D.; Krogstad, D. J. | An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1423 | 1425 | 10.1107/S0108270195000151 | 0.71073 | MoKα | null | 0.038 | null | null | 0.049 | null | null | null | null | 1.56 | 1.56 | null | null | null | has coordinates | Mague, J. T.; De, D.; Krogstad, D. J.
An Intermediate for Chloroquine Analogs: (<i>E</i>)-2-(4,7-Dichloro-2-quinolinyl)-3-(dimethylamino)-2-propenal
Acta Crystallographica Section C
51(7)
(1995)
1423-1425 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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4,322,366 | 8.8449 | 0.0005 | 11.2219 | 0.0008 | 14.466 | 0.001 | 96.818 | 0.007 | 107.694 | 0.007 | 104.52 | 0.006 | 1,294.32 | 0.17 | 293.2 | null | 293 | null | null | null | null | null | 7 | P -1 | -P 1 | 2 | - C21 H31 Cl N6 O4 Pd S2 - | - C21 H31 Cl N6 O4 Pd S2 - | - C42 H62 Cl2 N12 O8 Pd2 S4 - | 2 | 1 | Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury | Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations | Inorganic Chemistry | 1,999 | 38 | 5453 | 5456 | 10.1021/ic9813720 | 0.71073 | MoKα | null | 0.029 | null | null | 0.038 | null | null | null | null | 2.38 | 2.38 | null | null | null | has coordinates | Sudeep Bhattacharyya; Timothy J. R. Weakley; Muktimoy Chaudhury
Palladium(II)-Induced Activation of Carbon-Nitrogen Single Bond of Coordinated N4S Ligand. Characterization of Product with Modified Ligand Structure: Kinetics versus Thermodynamic Considerations
Inorganic Chemistry
38
(1999)
5453-5456 | 176,467 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,651 | 9.418 | 0.006 | 14.31 | 0.01 | 6.303 | 0.007 | 90 | null | 92.45 | 0.07 | 90 | null | 848.7 | 1.2 | 295 | null | null | null | null | null | null | null | 6 | P 1 21/c 1 | -P 2ybc | 14 | - C6 H9 F N O3 P - | - C6 H9 F N O3 P - | - C24 H36 F4 N4 O12 P4 - | 4 | 1 | DU1082 | Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R. | Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^} | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1359 | 1361 | 10.1107/S010827019401214X | 0.71073 | MoKα | null | 0.046 | null | null | 0.049 | null | null | null | null | 1.165 | 1.165 | null | null | null | has coordinates | Khaoulani Idrissi, A.; Rafiq, M.; Gougeon, P.; Guerin, R.
Anilinium Hydrogen Monofluorophosphate, C~6~H~8~N^+^.HPO~3~F^{-^}
Acta Crystallographica Section C
51(7)
(1995)
1359-1361 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,652 | 4.904 | 0.001 | 4.904 | 0.001 | 26.186 | 0.01 | 90 | null | 90 | null | 120 | null | 545.4 | 0.3 | 293 | 2 | null | null | null | null | null | null | 2 | R -3 m :H | -R 3 2" | 166 | - Co6.3 Nb6.7 - | - Co6.3 Nb6.7 - | - Co18.9 Nb20.1 - | 3 | 0.083333 | DU1106 | Wagner, V.; Conrad, M.; Harbrecht, B. | The μ-Phase of Co~6.3~Nb~6.7~ | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1241 | 1243 | 10.1107/S0108270195000552 | 0.71069 | MoKα | null | 0.0286 | null | 0.096 | 0.081 | null | null | null | null | 1.076 | 1.076 | null | null | null | has coordinates | Wagner, V.; Conrad, M.; Harbrecht, B.
The μ-Phase of Co~6.3~Nb~6.7~
Acta Crystallographica Section C
51(7)
(1995)
1241-1243 | 176,342 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-11 00:55:37 +0200 (Thu, 11 Feb 2016) $
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2,003,653 | 7.2169 | 0.0005 | 7.2821 | 0.0006 | 11.5524 | 0.0002 | 82.154 | 0.01 | 87.096 | 0.01 | 64.494 | 0.01 | 542.8 | 0.08 | 293 | 2 | 293 | 2 | null | null | null | null | synthèse | 5 | P -1 | -P 1 | 2 | Ortho-phénylènediammonium Dihydrogénodiphosphate | - C6 H12 N2 O7 P2 - | - C6 H12 N2 O7 P2 - | - C12 H24 N4 O14 P4 - | 2 | 1 | DU1108 | Soumhi, E. H.; Jouini, T. | <i>o</i>-Phénylènediammonium Dihydrogénodiphosphate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1457 | 1459 | 10.1107/S0108270195000230 | 0.71069 | MoKα | 0.031 | 0.028 | null | 0.0808 | 0.0801 | null | null | null | 2.817 | 2.925 | 2.925 | null | null | null | has coordinates | Soumhi, E. H.; Jouini, T.
<i>o</i>-Phénylènediammonium Dihydrogénodiphosphate
Acta Crystallographica Section C
51(7)
(1995)
1457-1459 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
#$Date: 2025-08-19 01:52:38 +0300 (Tue, 19 Aug 2025) $
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2,003,654 | 23.512 | 0.004 | 23.861 | 0.004 | 22.417 | 0.004 | 90 | null | 103.16 | 0.01 | 90 | null | 12,246 | 4 | 120 | null | null | null | null | null | null | null | Mn(O~2~CCH~3~)~2~.4H~2~O + C~5~H~5~N + 3,5-(NO~2~)~2~-C~6~H~3~CO~2~H + ^n^Bu~4~MnO~4~ in C~2~H~5~OH; crystals from acetone/ether | 5 | C 1 2/c 1 | -C 2yc | 15 | - C100 H84 Mn6 N22 O68 - | - C104 H78 Mn6 N22 O67 - | - C416 H312 Mn24 N88 O268 - | 4 | 0.5 | FG1000 | Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G. | [Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~] | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1263 | 1267 | 10.1107/S0108270194013764 | 0.71069 | MoKα | null | 0.0685 | null | null | 0.0666 | null | null | null | null | 1.415 | 1.415 | null | null | null | has coordinates | Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
Acta Crystallographica Section C
51(7)
(1995)
1263-1267 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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2,003,655 | 18.441 | 0.003 | 24.561 | 0.004 | 17.497 | 0.003 | 90 | null | 90 | null | 90 | null | 7,925 | 2 | 103 | null | null | null | null | null | null | null | Ph~4~P[Mn~4~O~2~(O~2~CPh)~9~(OH~2~)] + Na^+^(2-Me~2~N-C~6~H~4~CO~2~^-^) in MeCN at 263 K | 5 | P b n a | -P 2ac 2b | 60 | - C78 H62 Mn6 N4 O22 - | - C78 H62 Mn6 N4 O22 - | - C312 H248 Mn24 N16 O88 - | 4 | 0.5 | FG1000 | Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G. | [Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~] | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1263 | 1267 | 10.1107/S0108270194013764 | 0.71069 | MoKα | null | 0.075 | null | null | 0.064 | null | null | null | null | 1.072 | 1.072 | null | null | null | has coordinates | Halcrow, M. A.; Streib, W. E.; Folting, K.; Christou, G.
[Mn~6~O~2~{O~2~C-3,5-(NO~2~)~2~-C~6~H~3~}~10~(C~5~H~5~N)~2~{(CH~3~)~2~CO}~2~].2(CH~3~)~2~CO.2(C~2~H~5~)~2~O and [Mn~6~O~2~(O~2~CC~6~H~5~)~10~(NCCH~3~)~4~]
Acta Crystallographica Section C
51(7)
(1995)
1263-1267 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,656 | 11.968 | 0.002 | 7.34 | 0.001 | 13.539 | 0.002 | 90 | null | 99.77 | 0.01 | 90 | null | 1,172.1 | 0.3 | 195 | null | null | null | null | null | null | null | 4 | P 1 21/c 1 | -P 2ybc | 14 | - C24 H38 O2 S2 - | - C24 H38 O2 S2 - | - C48 H76 O4 S4 - | 2 | 0.5 | FG1013 | Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M. | 3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1394 | 1397 | 10.1107/S0108270195001090 | 1.54184 | CuKα | null | 0.036 | null | null | 0.046 | null | null | null | null | 1.749 | 1.749 | null | null | null | has coordinates | Pelletier, M.; Brisse, F.; Cloutier, R.; Leclerc, M.
3,3'-Bis(octyloxy)-2,2'-bithiophene at 195 K
Acta Crystallographica Section C
51(7)
(1995)
1394-1397 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,657 | 10.345 | 0.001 | 17.316 | 0.002 | 15.94 | 0.002 | 90 | null | 90 | null | 90 | null | 2,855.4 | 0.6 | 293 | 2 | 293 | 2 | null | null | null | null | 5 | P n m a | -P 2ac 2n | 62 | Bis(5,5-diphenylhydantoinato)diamminezinc(II) Hemihydrate | - C30 H29 N6 O4.5 Zn - | - C30 H29 N6 O4.5 Zn - | - C120 H116 N24 O18 Zn4 - | 4 | 0.5 | FG1044 | Roszak, A. W.; Milne, P.; Weaver, D. F. | Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1297 | 1300 | 10.1107/S0108270195000291 | 0.71069 | MoKα | 0.0577 | 0.0423 | null | 0.1373 | 0.1199 | null | null | null | 1.092 | 1.092 | 1.092 | null | null | null | has coordinates,has disorder | Roszak, A. W.; Milne, P.; Weaver, D. F.
Diamminebis(5,5-diphenylhydantoinato)zinc(II) Hemihydrate
Acta Crystallographica Section C
51(7)
(1995)
1297-1300 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,658 | 11.793 | 0.003 | 23.267 | 0.003 | 12.713 | 0.001 | 90 | null | 111.48 | 0.02 | 90 | null | 3,246 | 1.1 | 298 | 2 | 298 | 2 | null | null | null | null | 5 | P 1 21/n 1 | -P 2yn | 14 | - C37 H33 As2 Cl Pd - | - C37 H33 As2 Cl Pd - | - C148 H132 As8 Cl4 Pd4 - | 4 | 1 | FG1047 | Rath, N. P.; Ladipo, F. T.; Anderson, G. K. | <i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II) | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1289 | 1290 | 10.1107/S010827019401485X | 0.71073 | MoKα | 0.0812 | 0.0365 | null | 0.0807 | 0.0723 | null | null | null | 0.815 | 0.996 | 0.996 | null | null | null | has coordinates | Rath, N. P.; Ladipo, F. T.; Anderson, G. K.
<i>trans</i>-Chloro(methyl)bis(triphenylarsine)palladium(II)
Acta Crystallographica Section C
51(7)
(1995)
1289-1290 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
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2,003,659 | 7.136 | 0.001 | 7.221 | 0.001 | 24.405 | 0.003 | 90 | null | 90 | null | 90 | null | 1,257.6 | 0.3 | 296 | null | 296 | null | null | null | null | null | 5 | P 21 21 21 | P 2ac 2ab | 19 | (2S,4R,5R)-(-)-3 Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide | - C12 H17 N O2 S - | - C12 H17 N O2 S - | - C48 H68 N4 O8 S4 - | 4 | 1 | FG1054 | Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N. | (2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1372 | 1374 | 10.1107/S010827019500076X | 0.71069 | MoKα | null | 0.031 | null | null | 0.036 | null | null | null | null | 1.54 | 1.54 | null | null | null | has coordinates | Robinson, P. D.; Hua, D. H.; Chen, J.; Lagneau, N.
(2<i>S</i>,4<i>R</i>,5<i>R</i>)-({-})-3-Isopropyl-4-methyl-5-phenyl-1,2,3-oxathiazolidine 2-Oxide
Acta Crystallographica Section C
51(7)
(1995)
1372-1374 | 301,791 | 2025-08-18 | 23:15:24 | #------------------------------------------------------------------------------
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2,003,660 | 12.33 | 0.03 | 8.26 | 0.04 | 14.25 | 0.03 | 90 | null | 115 | 0.5 | 90 | null | 1,315 | 9 | 296 | null | 296 | null | null | null | null | null | 4 | P 1 21/n 1 | -P 2yn | 14 | 2,2-dimethyl-9-phenyl-1,2H-dihydropurine-6-carboxamide | - C14 H15 N5 O - | - C14 H15 N5 O - | - C56 H60 N20 O4 - | 4 | 1 | HA1128 | Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P. | A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines | Acta Crystallographica Section C | 1,995 | 51 | 7 | 1467 | 1470 | 10.1107/S0108270194009558 | 0.71069 | MoKα | null | 0.049 | null | null | 0.052 | null | null | null | null | 1.49 | 1.49 | null | null | null | has coordinates | Beagley, B.; Booth, B. L.; Eastwood, P. R.; Kieger, S.; Pritchard, R. G.; Alves, M. J.; Carvalho, A.; Proença, M. F. J. R. P.
A Tautomeric Pair of 2,2-Dimethyl-6-carbamoyl-9-phenyldihydropurines
Acta Crystallographica Section C
51(7)
(1995)
1467-1470 | 176,759 | 2020-10-21 | 18:00:00 | #------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
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