Information card for entry 4348267

Structure parameters

• Chemical name: Chlorido(2,2'-bipyridyl)(5-diphenylphosphanyl-1,2- diphenyl-1H-1,2,3-triazole)copper(I)
• Formula: C36 H28 Cl Cu N5 P
• Calculated formula: C36 H28 Cl Cu N5 P
• SMILES: [Cu]1(Cl)([P](c2ccccc2)(c2ccccc2)c2n(nnc2c2ccccc2)c2ccccc2)[n]2ccccc2c2[n]1cccc2
• 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: 10.6311 ± 0.0005 Å
• b: 11.0562 ± 0.0005 Å
• c: 14.9648 ± 0.0007 Å
• α: 110.036 ± 0.0006°
• β: 90.808 ± 0.0007°
• γ: 114.174 ± 0.0007°
• Cell volume: 1482.92 ± 0.12 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: 0.047
• Residual factor for significantly intense reflections: 0.0363
• Weighted residual factors for significantly intense reflections: 0.0874
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No