Information card for entry 4105285

Structure parameters

• Formula: C44 H72 Ga Rh Zn7
• Calculated formula: C44 H72 Ga Rh Zn7
• SMILES: [Rh]1234567[Ga]89%10([Zn]%11%123([Zn]3%13%14%15%164([Zn]41([Zn]23([Zn]123%17584[c]4([c]1([c]2([c]3([c]%174C)C)C)C)C)([Zn]123469%11[c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C)([Zn]12347%10%12[c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C)[c]1([c]%16([c]%15([c]%14([c]%131C)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: 16.9525 ± 0.0007 Å
• b: 16.583 ± 0.0004 Å
• c: 23.4379 ± 0.0009 Å
• α: 90°
• β: 110.783 ± 0.004°
• γ: 90°
• Cell volume: 6160.2 ± 0.4 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.072
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1055
• Weighted residual factors for all reflections included in the refinement: 0.11
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No