Information card for entry 4317394

Structure parameters

• Formula: C77 H152 K4 Mo N10 O27 Sn9
• Calculated formula: C77 H152 K4 Mo N10 O27 Sn9
• Title of publication: Syntheses, Crystal Structures, and Density Functional Theory Calculations of the closo-[1-M(CO)3(η4-E9)]4- (E = Sn, Pb; M = Mo, W) Cluster Anions and Solution NMR Spectroscopic Characterization of [1-M(CO)3(η4-Sn9)]4- (M = Cr, Mo, W)
• Authors of publication: Janette Campbell; Hélène P. A. Mercier; Holger Franke; David P. Santry; David A. Dixon; Gary J. Schrobilgen
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 86 - 107
• a: 16.187 ± 0.003 Å
• b: 25.832 ± 0.004 Å
• c: 29.855 ± 0.005 Å
• α: 111.46 ± 0.01°
• β: 102.84 ± 0.02°
• γ: 92.87 ± 0.02°
• Cell volume: 11208 ± 4 ų
• Cell temperature: 178 ± 2 K
• Ambient diffraction temperature: 178 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1554
• Residual factor for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections: 0.3186
• Weighted residual factors for significantly intense reflections: 0.2759
• Goodness-of-fit parameter for all reflections: 1.498
• Goodness-of-fit parameter for significantly intense reflections: 1.669
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No