Information card for entry 4105289

Structure parameters

• Formula: C52 H90 O Pt Zn8
• Calculated formula: C52 H90 O Pt Zn8
• SMILES: [c]12([c]3([c]4([c]5([c]1([Zn]1672345[Pt]234589[Zn]%10%11%12%13%14%15([c]%16([c]%10([c]%11([c]%12([c]%13%16C)C)C)C)C)[Zn]%10%113(CC)[Zn]312(CC)[Zn]12%12%134%10([c]4([c]1([c]2([c]%12([c]%134C)C)C)C)C)[Zn]68%14(CC)[Zn]79%15(CC)[Zn]12465%113[c]3([c]1([c]2([c]4([c]63C)C)C)C)C)C)C)C)C)C.O(CC)CC
• 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: 17.2256 ± 0.0003 Å
• b: 17.7766 ± 0.0003 Å
• c: 18.5676 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5685.63 ± 0.17 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0435
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No