Information card for entry 8106742

Structure parameters

• Common name: bromido(4,4'-dimethoxy-2,2'-bipyridine-N,N')(isopropyl(diphenyl)phosphane-κP)copper(I)
• Formula: C27 H29 Br Cu N2 O2 P
• Calculated formula: C27 H29 Br Cu N2 O2 P
• SMILES: [Cu]1([n]2ccc(cc2c2[n]1ccc(c2)OC)OC)(Br)[P](C(C)C)(c1ccccc1)c1ccccc1
• Title of publication: Crystal structure of bromido(4,4′-dimethoxy-2,2′-bipyridine-κ2 N,N′)(isopropyl(diphenyl)phosphane-κP)copper(I), C27H29BrCuN2O2P
• Authors of publication: Fettouhi, Mohammed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 6
• Pages of publication: 985 - 986
• a: 15.5806 ± 0.001 Å
• b: 10.5071 ± 0.001 Å
• c: 16.9748 ± 0.0015 Å
• α: 90°
• β: 110.729 ± 0.002°
• γ: 90°
• Cell volume: 2599 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.02
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 0.891
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No