Information card for entry 4105286

Structure parameters

• Formula: C44 H72 F0 Ni Zn8
• Calculated formula: C44 H72 Ni Zn8
• SMILES: [Ni]1234567[Zn]89%10([Zn]%11%121([Zn]1%13%14%1548([Zn]482([Zn]3([Zn]23%16%17594[c]4([c]2([c]3([c]%16([c]%174C)C)C)C)C)([Zn]23456%118[c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([Zn]23457%10%12[c]6([c]5([c]4([c]3([c]26C)C)C)C)C)C)C)[c]2([c]1([c]%13([c]%14([c]%152C)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: 29.9453 ± 0.0013 Å
• b: 20.8547 ± 0.0006 Å
• c: 22.1767 ± 0.0007 Å
• α: 90°
• β: 126.644 ± 0.003°
• γ: 90°
• Cell volume: 11112.2 ± 0.8 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0819
• Residual factor for significantly intense reflections: 0.0372
• Weighted residual factors for significantly intense reflections: 0.0907
• Weighted residual factors for all reflections included in the refinement: 0.1001
• Goodness-of-fit parameter for all reflections included in the refinement: 0.78
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No