Information card for entry 4085670

Structure parameters

• Formula: C57 H48 Cl7 Cu F Ge P3
• Calculated formula: C57 H48 Cl7 Cu F Ge P3
• SMILES: [Ge](F)(c1ccccc1[P]([Cu]12Cl)(c3ccccc3)c3ccccc3)(c3ccccc3[P]1(c1ccccc1)c1ccccc1)c1ccccc1[P]2(c1ccccc1)c1ccccc1.C(Cl)Cl.C(Cl)Cl.C(Cl)Cl
• Title of publication: Evaluation of the σ-Donation from Group 11 Metals (Cu, Ag, Au) to Silane, Germane, and Stannane Based on the Experimental/Theoretical Systematic Approach
• Authors of publication: Kameo, Hajime; Kawamoto, Tatsuya; Bourissou, Didier; Sakaki, Shigeyoshi; Nakazawa, Hiroshi
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 8
• Pages of publication: 1440
• a: 12.6654 ± 0.0001 Å
• b: 15.6131 ± 0.0002 Å
• c: 16.845 ± 0.0005 Å
• α: 66.11 ± 0.007°
• β: 64.455 ± 0.007°
• γ: 85.681 ± 0.01°
• Cell volume: 2727.9 ± 0.3 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1025
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for significantly intense reflections: 0.2229
• Weighted residual factors for all reflections included in the refinement: 0.2324
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No