Information card for entry 7027314

Structure parameters

• Formula: C68.5 H65 Cl F12 Ni2 O P6 S2
• Calculated formula: C68.5 H65 Cl F12 Ni2 O P6 S2
• 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: 38.985 ± 0.012 Å
• b: 22.435 ± 0.005 Å
• c: 16.46 ± 0.002 Å
• α: 90°
• β: 105.56 ± 0.02°
• γ: 90°
• Cell volume: 13869 ± 6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• 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: 0.1382
• Residual factor for significantly intense reflections: 0.0616
• Weighted residual factors for all reflections: 0.1899
• Weighted residual factors for significantly intense reflections: 0.1666
• Goodness-of-fit parameter for all reflections: 0.951
• Goodness-of-fit parameter for significantly intense reflections: 1.136
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No