Information card for entry 4310952

Structure parameters

• Formula: C76.5 H65 Cl5 Ni2 P4 S4
• Calculated formula: C76.5 H64 Cl5 Ni2 P4 S4
• Title of publication: Proton Transfer to Nickel-Thiolate Complexes. 1. Protonation of [Ni(SC6H4R-4)2(Ph2PCH2CH2PPh2)] (R = Me, MeO, H, Cl, or NO2)
• Authors of publication: Valerie Autissier; William Clegg; Ross W. Harrington; Richard A. Henderson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 3098 - 3105
• a: 13.6352 ± 0.0007 Å
• b: 16.5127 ± 0.0008 Å
• c: 18.9762 ± 0.001 Å
• α: 65.255 ± 0.001°
• β: 75.748 ± 0.001°
• γ: 71.427 ± 0.001°
• Cell volume: 3646.4 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0735
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.1165
• Weighted residual factors for all reflections included in the refinement: 0.1322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No