Information card for entry 7708659

Structure parameters

• Formula: C71 H90 Ag4 Br4 Cl6 N12 P4
• Calculated formula: C71 H90 Ag4 Br4 Cl6 N12 P4
• SMILES: [Ag]123[Br]4[Ag]56[Br]1[Ag]1([Br]2[Ag]4([Br]51)[P](c1n(nnc1c1ccc(cc1)c1nnn(c2ccccc2)c1[P]6(C(C)C)C(C)C)c1ccccc1)(C(C)C)C(C)C)[P](c1n(nnc1c1ccc(c2nnn(c4ccccc4)c2[P]3(C(C)C)C(C)C)cc1)c1ccccc1)(C(C)C)C(C)C.ClCCl.ClCCl.ClCCl
• 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: 13.3674 ± 0.0004 Å
• b: 17.7306 ± 0.0008 Å
• c: 20.2898 ± 0.0006 Å
• α: 83.651 ± 0.003°
• β: 74.88 ± 0.003°
• γ: 70.2 ± 0.003°
• Cell volume: 4366.7 ± 0.3 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.0778
• Weighted residual factors for significantly intense reflections: 0.1991
• Weighted residual factors for all reflections included in the refinement: 0.2249
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No