Information card for entry 4348263

Structure parameters

• Formula: C40 H32 Cl5 Cu N5 P
• Calculated formula: C40 H32 Cl5 Cu N5 P
• SMILES: [Cu]1([P](c2ccccc2)(c2ccccc2)c2ccccc2n2nnc(c2)c2ccccc2)(Cl)[n]2c3c4[n]1cccc4ccc3ccc2.ClCCl.ClCCl
• 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: 10.1064 ± 0.0005 Å
• b: 13.1454 ± 0.0007 Å
• c: 15.2293 ± 0.0008 Å
• α: 100.385 ± 0.003°
• β: 107.129 ± 0.002°
• γ: 90.703 ± 0.003°
• Cell volume: 1897.23 ± 0.17 ų
• Cell temperature: 102 ± 2 K
• Ambient diffraction temperature: 102 ± 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: 0.0636
• Residual factor for significantly intense reflections: 0.0545
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1503
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No