Information card for entry 7110871

Structure parameters

• Formula: C94 H132 N6 Ni31 O42 Sb4
• Calculated formula: C94 H112 N6 Ni31 O42 Sb4
• Title of publication: A high-nuclearity Ni‒Sb carbonyl cluster displaying unprecedented metal stereochemistries: synthesis and X-ray structure of [NEt4]6[Ni31Sb4(CO)40]·2 Me2CO
• Authors of publication: Femoni, Cristina; Iapalucci, M. Carmela; Longoni, Giuliano; Svensson, Per H.
• Journal of publication: Chemical Communications
• Year of publication: 2000
• Journal issue: 8
• Pages of publication: 655
• a: 20.9876 ± 0.0006 Å
• b: 14.6084 ± 0.0004 Å
• c: 44.1418 ± 0.0011 Å
• α: 90°
• β: 93.707 ± 0.001°
• γ: 90°
• Cell volume: 13505.4 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1012
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.1166
• Weighted residual factors for all reflections included in the refinement: 0.1274
• Goodness-of-fit parameter for all reflections included in the refinement: 0.885
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No