Information card for entry 4348264

Structure parameters

• Chemical name: Bromido(1,10-phenanthroline-κ^2^<i>N,N'</i>)(5- (diphenylphosphanyl)-1,4-diphenyl-1H-1,2,3-triazole- κ<i>P</i>)copper(I)
• Formula: C38 H28 Br Cu N5 P
• Calculated formula: C38 H28 Br Cu N5 P
• SMILES: Br[Cu]1([P](c2n(nnc2c2ccccc2)c2ccccc2)(c2ccccc2)c2ccccc2)[n]2cccc3ccc4ccc[n]1c4c23
• Title of publication: Two Triazole-Based Phosphine Ligands Prepared via Temperature-Mediated Li/H Exchange: Cu(I) and Au(I) Complexes and Structural Studies.
• Authors of publication: Choubey, Bimba; Radhakrishna, Latchupatula; Mague, Joel T.; Balakrishna, Maravanji S.
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• Journal volume: 55
• Journal issue: 17
• Pages of publication: 8514 - 8526
• a: 10.1081 ± 0.001 Å
• b: 10.2599 ± 0.001 Å
• c: 16.0076 ± 0.0015 Å
• α: 82.718 ± 0.0013°
• β: 73.646 ± 0.0013°
• γ: 81.978 ± 0.0013°
• Cell volume: 1570.7 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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 all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.076
• Weighted residual factors for all reflections included in the refinement: 0.0793
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No