Information card for entry 7027313

Structure parameters

• Formula: C33.5 H29 Cl3 Ir O0.5 P2 S
• Calculated formula: C33.5 H29 Cl3 Ir O0.5 P2 S
• Title of publication: Binuclear complexes with ligands based on the 2,6-bis(diphenylphosphinomethyl)benzene framework. Syntheses and crystal structures of [Ir2Cl2(μ-CO){2,6-(Ph2PCH2)2C6H3S}2]·2CH2Cl2, [Ni2{2,6-(Ph2PCH2)2C6H4S}2][PF6]2·Et2O·0.5CH2Cl2 and [Rh2Cl2(CO)2{1,3-(Ph2PCH2)2C6H4}2]
• Authors of publication: Dilworth, Jonathan R.; Zheng, Yifan; Vaughan Griffiths, D.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 11
• Pages of publication: 1877
• a: 25.06 ± 0.007 Å
• b: 13.434 ± 0.003 Å
• c: 19.625 ± 0.005 Å
• α: 90°
• β: 104.95 ± 0.04°
• γ: 90°
• Cell volume: 6383 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1436
• Residual factor for significantly intense reflections: 0.085
• Weighted residual factors for all reflections: 0.2294
• Weighted residual factors for significantly intense reflections: 0.2062
• Goodness-of-fit parameter for all reflections: 0.962
• Goodness-of-fit parameter for significantly intense reflections: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No