Information card for entry 2006549

Structure parameters

• Formula: C56 H50 Cl2 Fe2 P2 Pt
• Calculated formula: C56 H50 Cl2 Fe2 P2 Pt
• SMILES: [P]([Pt](Cl)([P](c1ccccc1)(c1ccccc1)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]9[cH]8[cH]7[cH]61)Cl)(c1ccccc1)(c1ccccc1)[c]12[cH]3[Fe]4567891([cH]2[cH]4[cH]35)[cH]1[cH]8[cH]9[cH]7[cH]61.c1ccccc1.c1ccccc1
• Title of publication: <i>trans</i>-Dichlorobis(ferrocenyldiphenylphosphine-<i>P</i>)platinum(II)‒Benzene (1/2)
• Authors of publication: Otto, Stefanus; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 10
• Pages of publication: 1414 - 1416
• a: 9.511 ± 0.001 Å
• b: 12.754 ± 0.002 Å
• c: 10.363 ± 0.001 Å
• α: 97.42 ± 0.01°
• β: 87.45 ± 0.01°
• γ: 106.81 ± 0.01°
• Cell volume: 1193.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.044
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.109
• Goodness-of-fit parameter for all reflections: 1.05
• Goodness-of-fit parameter for significantly intense reflections: 1.036
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No