Information card for entry 4105279

Structure parameters

• Formula: C40 H30 Mo Zn12
• Calculated formula: C40 H30 Mo Zn12
• Title of publication: Molecular Alloys, Linking Organometallics with Intermetallic Hume-Rothery Phases: The Highly Coordinated Transition Metal Compounds [M(ZnR)n] (n >= 8) Containing Organo-Zinc Ligands
• Authors of publication: Thomas Cadenbach; Timo Bollermann; Christian Gemel; Mustafa Tombul; Israel Fernandez; Moritz von Hopffgarten; Gernot Frenking; Roland A. Fischer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 16063 - 16077
• a: 12.1242 ± 0.0008 Å
• b: 21.3988 ± 0.0011 Å
• c: 23.125 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5999.6 ± 0.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1424
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.195
• Goodness-of-fit parameter for all reflections included in the refinement: 0.832
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No