Information card for entry 4321062

Structure parameters

• Chemical name: [Mo(S2C2Ph2)(OSiPh3)2(Me4phen)](C5H12)
• Formula: C71 H56 Mo N2 O2 S2 Si2
• Calculated formula: C71 H56 Mo N2 O2 S2 Si2
• Title of publication: Oxo/Sulfidotungstate(VI) as Precursors to WVIO2, WVIOS, and WVIS2 Complexes and WIV-Dithiolene Chelate Rings
• Authors of publication: Mingming Miao; Michael W. Willer; R. H. Holm
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 2843 - 2849
• a: 19.0685 ± 0.001 Å
• b: 19.3165 ± 0.001 Å
• c: 17.7183 ± 0.0009 Å
• α: 90°
• β: 112.442 ± 0.001°
• γ: 90°
• Cell volume: 6032 ± 0.5 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 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: 0.0556
• Residual factor for significantly intense reflections: 0.0485
• Weighted residual factors for significantly intense reflections: 0.1342
• Weighted residual factors for all reflections included in the refinement: 0.1413
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No