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Information card for entry 2011248
Preview
Coordinates | 2011248.cif |
---|---|
Structure factors | 2011248.hkl |
Original IUCr paper | HTML |
Chemical name | {2,2'-[(R,R)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis(6-tert-butyl-4- (triphenylphosphoniomethyl)phenolato-O,N,N',O'}copper(II) dichloride hexakis(deuterochloroform) solvate |
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Formula | C72 H68 Cl20 Cu D6 N2 O2 P2 |
Calculated formula | C72 H68 Cl20 Cu D6 N2 O2 P2 |
SMILES | c12c(cc(cc1C=[N]1[C@@H]3CCCC[C@H]3[N]3[Cu]1(O2)Oc1c(cc(cc1C=3)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C)C[P+](c1ccccc1)(c1ccccc1)c1ccccc1)C(C)(C)C.C(Cl)(Cl)(Cl)[2H].C(Cl)(Cl)(Cl)[2H].C(Cl)(Cl)(Cl)[2H].C(Cl)(Cl)(Cl)[2H].C(Cl)(Cl)(Cl)[2H].C(Cl)(Cl)(Cl)[2H].[Cl-].[Cl-] |
Title of publication | {2,2'-[(<i>R</i>,<i>R</i>)-Cyclohexane-1,2-diylbis(nitrilomethylidyne)]bis[6-<i>tert</i>-butyl-4-(triphenylphosphoniomethyl)phenolato]-<i>O</i>,<i>N</i>,<i>N</i>',<i>O</i>'}copper(II) dichloride hexakis(deuterochloroform) solvate |
Authors of publication | Pajunen, Aarne; Mutikainen, Ilpo; Haikarainen, Anssi; Sipilä, Jussi; Pietikäinen, Pekka |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2000 |
Journal volume | 56 |
Journal issue | 8 |
Pages of publication | e321 - e322 |
a | 19.401 ± 0.008 Å |
b | 22.383 ± 0.009 Å |
c | 20.805 ± 0.009 Å |
α | 90° |
β | 107.89 ± 0.04° |
γ | 90° |
Cell volume | 8598 ± 6 Å3 |
Cell temperature | 193 ± 2 K |
Ambient diffraction temperature | 193 ± 2 K |
Number of distinct elements | 8 |
Space group number | 5 |
Hermann-Mauguin space group symbol | C 1 2 1 |
Hall space group symbol | C 2y |
Residual factor for all reflections | 0.108 |
Residual factor for significantly intense reflections | 0.067 |
Weighted residual factors for all reflections included in the refinement | 0.188 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.046 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
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