Information card for entry 4105283

Structure parameters

• Formula: C44 H72 Ga0 Ru Zn8
• Calculated formula: C44 H72 Ru Zn8
• SMILES: [Ru]1234567[Zn]89%10([Zn]%111([Zn]1%12%13%1469([Zn]62([Zn]29%15%1648([Zn]3([Zn]348%1756[c]5([c]%17([c]8([c]4([c]35C)C)C)C)C)([Zn]34567%10%11[c]7([c]3([c]4([c]5([c]67C)C)C)C)C)C)[c]3([c]2([c]9([c]%15([c]%163C)C)C)C)C)C)[c]2([c]1([c]%12([c]%13([c]%142C)C)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: 12.5205 ± 0.0004 Å
• b: 23.2905 ± 0.0007 Å
• c: 22.5218 ± 0.0008 Å
• α: 90°
• β: 123.522 ± 0.002°
• γ: 90°
• Cell volume: 5475.2 ± 0.3 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 5
• 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: 0.0951
• Residual factor for significantly intense reflections: 0.0533
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1559
• Goodness-of-fit parameter for all reflections included in the refinement: 0.968
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No