Information card for entry 4105287

Structure parameters

• Formula: C44 H72 Ga0 Pd Zn8
• Calculated formula: C44 H72 Pd Zn8
• SMILES: [Pd]1234567[Zn]89%10%11%12%13([Zn]%144([Zn]4%15%16%17%182([Zn]2%195([Zn]5%20%21%221([Zn]684%19C)([Zn]79([Zn]14673%142[c]2([c]7([c]6([c]4([c]12C)C)C)C)C)C)[c]1([c]5([c]%20([c]%21([c]%221C)C)C)C)C)C)[c]1([c]%15([c]%16([c]%17([c]%181C)C)C)C)C)C)[c]1([c]%10([c]%11([c]%12([c]%131C)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: 12.6106 ± 0.0003 Å
• b: 23.3762 ± 0.0009 Å
• c: 18.9914 ± 0.0007 Å
• α: 90°
• β: 93.411 ± 0.003°
• γ: 90°
• Cell volume: 5588.5 ± 0.3 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: 0.0709
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.141
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No