Information card for entry 4317393

Structure parameters

• Formula: C76 H152 K4 N10 O27 Sn9 W
• Calculated formula: C77 H72 K4 N10 O27 Sn9 W
• 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: 17.018 ± 0.003 Å
• b: 27.057 ± 0.005 Å
• c: 28.298 ± 0.006 Å
• α: 66.42 ± 0.03°
• β: 76.72 ± 0.03°
• γ: 87.27 ± 0.03°
• Cell volume: 11608 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1692
• Residual factor for significantly intense reflections: 0.1215
• Weighted residual factors for all reflections: 0.4243
• Weighted residual factors for significantly intense reflections: 0.3794
• Goodness-of-fit parameter for all reflections: 1.653
• Goodness-of-fit parameter for significantly intense reflections: 1.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No