Information card for entry 4340827

Structure parameters

• Chemical name: (1,2-Bis(diphenylphosphino)ethane)(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(II) 1,2-dichloroethane solvate
• Formula: C44 H42 Cl2 O2 P2 Pt S2
• Calculated formula: C44 H42 Cl2 O2 P2 Pt S2
• SMILES: [Pt]12(SC(=C(S1)c1ccc(OC)cc1)c1ccc(OC)cc1)[P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1.ClCCCl
• Title of publication: A Structural and Spectroscopic Investigation of Octahedral Platinum Bis(dithiolene)phosphine Complexes: Platinum Dithiolene Internal Redox Chemistry Induced by Phosphine Association.
• Authors of publication: Chandrasekaran, P.; Greene, Angelique F.; Lillich, Karen; Capone, Stephen; Mague, Joel T.; DeBeer, Serena; Donahue, James P.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 17
• Pages of publication: 9192 - 9205
• a: 23.093 ± 0.004 Å
• b: 13.429 ± 0.002 Å
• c: 27.953 ± 0.005 Å
• α: 90°
• β: 110.592 ± 0.002°
• γ: 90°
• Cell volume: 8115 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0262
• Weighted residual factors for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No