Information card for entry 8102339

Structure parameters

• Chemical name: Bis(μ~2~-chloro)-tris(triphenylphosphine)-di-copper(I) dimethylformamide solvate
• Formula: C57 H52 Cl2 Cu2 N O P3
• Calculated formula: C57 H52 Cl2 Cu2 N O P3
• SMILES: [Cu]1([Cl][Cu]([Cl]1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.N(C=O)(C)C
• Title of publication: Crystal structure of bis(m2-chloro)-tris(triphenyl- phosphine)dicopper(I) dimethylformamide solvate, Cu2Cl2[P(C6H5)3]3 · C3H7NO
• Authors of publication: Le-Qing Fan; Ji-Huai Wu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2008
• Journal volume: 223
• Journal issue: 4
• Pages of publication: 349
• a: 19.67 ± 0.007 Å
• b: 14.34 ± 0.004 Å
• c: 20.516 ± 0.007 Å
• α: 90°
• β: 114.333 ± 0.005°
• γ: 90°
• Cell volume: 5273 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0834
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.175
• Weighted residual factors for all reflections included in the refinement: 0.188
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No