Information card for entry 4105288

Structure parameters

• Formula: C44 H69 Ga0 Pt Zn8
• Calculated formula: C44 H69 Pt Zn8
• SMILES: [Pt]1234567[Zn]89%10([Zn]%11%123([Zn]3%13%14%1548([Zn]42([Zn]28%16%176%12([Zn]1([Zn]16%12%1859%11[c]5([c]1([c]6([c]%12([c]%185C)C)C)C)C)([Zn]15697%104[c]4([c]1([c]5([c]6([c]94C)C)C)C)C)C)[c]1([c]2([c]8([c]%16([c]%171C)C)C)C)C)C)[c]1([c]3([c]%13([c]%14([c]%151C)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: 12.5896 ± 0.0012 Å
• b: 23.1888 ± 0.0008 Å
• c: 19.066 ± 0.004 Å
• α: 90°
• β: 93.262 ± 0.011°
• γ: 90°
• Cell volume: 5557.1 ± 1.3 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: 0.0787
• Residual factor for significantly intense reflections: 0.0455
• Weighted residual factors for significantly intense reflections: 0.1266
• Weighted residual factors for all reflections included in the refinement: 0.1384
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No