Information card for entry 2237039

Structure parameters

• Chemical name: <i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate
• Formula: C42 H68 Cl6 N2 P2 Pt
• Calculated formula: C42 H68 Cl6 N2 P2 Pt
• SMILES: CN(C)c1ccc([P](C2CCCCC2)(C2CCCCC2)[Pt](Cl)([P](c2ccc(N(C)C)cc2)(C2CCCCC2)C2CCCCC2)Cl)cc1.C(Cl)Cl.C(Cl)Cl
• Title of publication: <i>trans</i>-Dichloridobis{dicyclohexyl[4-(dimethylamino)phenyl]phosphane-κ<i>P</i>}platinum(II) dichloromethane disolvate
• Authors of publication: Davis, Wade L.; Meijboom, Reinout
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 12
• Pages of publication: m1561
• a: 19.4146 ± 0.0009 Å
• b: 13.1517 ± 0.0006 Å
• c: 19.3459 ± 0.0009 Å
• α: 90°
• β: 94.66 ± 0.002°
• γ: 90°
• Cell volume: 4923.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0254
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0665
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes