Information card for entry 2225005

Structure parameters

• Chemical name: [6-(4-Bromophenyl)-2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>'](tricyclohexylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate
• Formula: C34 H44 B Br Cu F4 N2 P
• Calculated formula: C34 H44 B Br Cu F4 N2 P
• SMILES: [Cu]1([P](C2CCCCC2)(C2CCCCC2)C2CCCCC2)[n]2c(c3[n]1cccc3)cccc2c1ccc(Br)cc1.[B](F)(F)(F)[F-]
• Title of publication: [6-(4-Bromophenyl)-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>'](tricyclohexylphosphine-κ<i>P</i>)copper(I) tetrafluoridoborate
• Authors of publication: Peng, Xi-Long
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m219
• a: 9.895 ± 0.0008 Å
• b: 20.2114 ± 0.0017 Å
• c: 17.3317 ± 0.0014 Å
• α: 90°
• β: 93.01 ± 0.001°
• γ: 90°
• Cell volume: 3461.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1058
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1279
• Weighted residual factors for all reflections included in the refinement: 0.1509
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes