Information card for entry 7708657

Structure parameters

• Formula: C34 H42 Br2 Cu2 N6 P2
• Calculated formula: C34 H42 Br2 Cu2 N6 P2
• SMILES: [Br]1[Cu]23[Br][Cu]12[P](c1n(nnc1c1ccc(cc1)c1nnn(c2ccccc2)c1[P]3(C(C)C)C(C)C)c1ccccc1)(C(C)C)C(C)C
• Title of publication: Group 11 metal complexes of a dinucleating triazole appended bisphosphine, 1,4-bis(5-(diisopropylphosphaneyl)-1-phenyl-1H-1,2,3-triazol-4-yl)benzene
• Authors of publication: Kote, Basvaraj S.; Kunchur, Harish S.; Radhakrishna, Latchupatula; Pandey, Madhusudan Kumar; Balakrishna, Maravanji Shivaramaiah
• Journal of publication: Dalton Transactions
• Year of publication: 2021
• a: 10.3774 ± 0.0007 Å
• b: 13.1298 ± 0.0005 Å
• c: 27.1445 ± 0.0013 Å
• α: 90°
• β: 100.7 ± 0.006°
• γ: 90°
• Cell volume: 3634.2 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1316
• Residual factor for significantly intense reflections: 0.0863
• Weighted residual factors for significantly intense reflections: 0.1656
• Weighted residual factors for all reflections included in the refinement: 0.1842
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No