Information card for entry 2008957

Structure parameters

• Chemical name: Bromo (1,10-Phenanthroline-N,N') (Triphenylphosphine) Copper(I)
• Formula: C30 H23 Br Cu N2 P
• Calculated formula: C30 H23 Br Cu N2 P
• SMILES: Br[Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Bromo(1,10-phenanthroline-<i>N</i>,<i>N</i>')(triphenylphosphine)copper(I)
• Authors of publication: Jin, Qiong-Hua; Xin, Xiu-Lan; Zhu, Fu-Jiang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: IUC9900107
• a: 8.409 ± 0.004 Å
• b: 9.327 ± 0.004 Å
• c: 18.144 ± 0.007 Å
• α: 78.555 ± 0.014°
• β: 76.85 ± 0.02°
• γ: 70.5 ± 0.02°
• Cell volume: 1294.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections included in the refinement: 0.948
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No