Information card for entry 4318177

Structure parameters

• Chemical name: di(bis(diphenylphosphino)methane)hexacyanodimolybdate .2 nitromethane
• Formula: C58 H50 Mo2 N8 O4 P4
• Calculated formula: C59 H50 Mo2 N9 O6 P4
• Title of publication: A Study of Structural and Bonding Variations in the Homologous Series [Mo2(CN)6(dppm)2]n- (n= 2, 1, 0)
• Authors of publication: Jitendra K. Bera; Paul S. Szalay; Kim R. Dunbar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 3429 - 3436
• a: 9.942 ± 0.002 Å
• b: 12.418 ± 0.003 Å
• c: 12.934 ± 0.003 Å
• α: 95.47 ± 0.03°
• β: 107.12 ± 0.03°
• γ: 91.86 ± 0.03°
• Cell volume: 1516 ± 0.7 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.1049
• Weighted residual factors for all reflections included in the refinement: 0.1153
• Goodness-of-fit parameter for all reflections included in the refinement: 0.904
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No