Information card for entry 4105280

Structure parameters

• Formula: C44 H72 Ga4 Mo Zn4
• Calculated formula: C44 H72 Ga4 Mo Zn4
• SMILES: [Mo]1234567[Ga]89([Zn]%10%11%12%13%144([Ga]42([Zn]2%15%16%1758([Ga]51([Zn]18%18%1969([Ga]3%10([Zn]369%10745[c]4([c]3([c]6([c]9([c]%104C)C)C)C)C)C)[c]3([c]%19([c]%18([c]8([c]13C)C)C)C)C)C)[c]1([c]2([c]%15([c]%16([c]%171C)C)C)C)C)C)[c]1([c]%11([c]%12([c]%13([c]%141C)C)C)C)C)C
• 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: 12.745 ± 0.003 Å
• b: 23.559 ± 0.005 Å
• c: 18.921 ± 0.005 Å
• α: 90°
• β: 93.81 ± 0.02°
• γ: 90°
• Cell volume: 5669 ± 2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• 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: 0.1446
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.2094
• Goodness-of-fit parameter for all reflections included in the refinement: 0.91
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No