Information card for entry 2231780

Structure parameters

• Chemical name: [6-(4-Bromophenyl)-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate
• Formula: C52 H41 B Br Cu F4 N2 P2
• Calculated formula: C52 H41 B Br Cu F4 N2 P2
• SMILES: [Cu]1([n]2ccccc2c2[n]1c(ccc2)c1ccc(Br)cc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[B](F)(F)(F)[F-]
• Title of publication: [6-(4-Bromophenyl)-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>']bis(triphenylphosphane-κ<i>P</i>)copper(I) tetrafluoridoborate
• Authors of publication: Lin, Yan-Ru; Huang, Jun-Sheng; Zhong, Ming-Hua
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 9
• Pages of publication: m1187
• a: 9.992 ± 0.001 Å
• b: 11.2591 ± 0.0011 Å
• c: 20.883 ± 0.002 Å
• α: 90°
• β: 98.658 ± 0.001°
• γ: 90°
• Cell volume: 2322.6 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 8
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.142
• Goodness-of-fit parameter for all reflections included in the refinement: 0.949
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes