Information card for entry 4340826

Structure parameters

• Chemical name: (1,2-bis(diphenylphosphino)ethane)bis(1,2-bis(4-methoxyphenyl) ethene-1,2-dithiolato)platinum(IV)
• Formula: C58 H52 O4 P2 Pt S4
• Calculated formula: C58 H52 O4 P2 Pt S4
• SMILES: C1(S[Pt]23([P](CC[P]2(c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)(SC=1c1ccc(OC)cc1)SC(=C(S3)c1ccc(OC)cc1)c1ccc(cc1)OC)c1ccc(cc1)OC
• 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: 17.8597 ± 0.0012 Å
• b: 18.7052 ± 0.0012 Å
• c: 16.6577 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5564.8 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections included in the refinement: 0.0566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No