Information card for entry 4348253

Structure parameters

• Formula: C38 H28 Cl Cu N5 P
• Calculated formula: C38 H28 Cl Cu N5 P
• SMILES: [Cu]1(Cl)([P](c2ccccc2)(c2n(nnc2c2ccccc2)c2ccccc2)c2ccccc2)[n]2c3c4[n]1cccc4ccc3ccc2
• 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: 9.9687 ± 0.0005 Å
• b: 10.0509 ± 0.0005 Å
• c: 15.8649 ± 0.001 Å
• α: 82.6 ± 0.005°
• β: 74.265 ± 0.005°
• γ: 81.68 ± 0.004°
• Cell volume: 1507.2 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0539
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.119
• Weighted residual factors for all reflections included in the refinement: 0.1243
• 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