Information card for entry 8102116

Structure parameters

• Chemical name: bromo-(1,10-phenanthroline-N,N')- (4-(N,N-dimethylamino)phenyldiphenylphosphine)-copper(i)
• Formula: C32 H28 Br Cu N3 P
• Calculated formula: C32 H28 Br Cu N3 P
• SMILES: [Cu]1(Br)([P](c2ccc(N(C)C)cc2)(c2ccccc2)c2ccccc2)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Crystal structure of bromo-(1,10-phenanthroline-N,N')-(4-(N,N-dimethylamino) phenyldiphenylphosphine)-copper(I), CuBr(C~12~H~8~N~2~)(C~20~H~20~NP)
• Authors of publication: Al-Fayez, Sahar; Abdel-Rahman, Laila H.; Shemsi, Ahsan M.; Seddigi, Zaki S.; Fettouhi, Mohammed
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2007
• Journal volume: 222
• Journal issue: 3
• Pages of publication: 205 - 206
• a: 9.8038 ± 0.0012 Å
• b: 13.3687 ± 0.0016 Å
• c: 21.574 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2827.6 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0522
• Residual factor for significantly intense reflections: 0.0364
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0859
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No