Information card for entry 4105282

Structure parameters

• Formula: C52 H84 Ru Zn10
• Calculated formula: C52 H84 Ru Zn10
• SMILES: [Ru]123456789[Zn]%10%11%12%13([Zn]%14%15%16%17%18%191([Zn]1%203%11([Zn]3%112%10([Zn]2%10%21%22%235%12([Zn]57%11([Zn]7%11%12%246%203([Zn]4%141([Zn]134695([Zn]8%13%152C)[c]2([c]1([c]3([c]4([c]62C)C)C)C)C)C)[c]1([c]7([c]%11([c]%12([c]%241C)C)C)C)C)C)[c]1([c]%23([c]%22([c]%21([c]%101C)C)C)C)C)C)C)[c]1([c]%19([c]%18([c]%17([c]%161C)C)C)C)C)C.c1ccccc1
• 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: 17.2946 ± 0.0011 Å
• b: 17.39 ± 0.002 Å
• c: 18.725 ± 0.002 Å
• α: 90°
• β: 94.516 ± 0.007°
• γ: 90°
• Cell volume: 5614.1 ± 1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.158
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.1084
• 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