Information card for entry 7009105

Structure parameters

• Formula: C18 H20 Cu2 I2 N10 O2
• Calculated formula: C18 H20 Cu2 I2 N10 O2
• SMILES: C12c3cccc[n]3[Cu]34(N1N(C(=O)N(N=2)C)C)[I][Cu]14([I]3)N2C(c3cccc[n]13)=NN(C(=O)N2C)C
• Title of publication: Synthesis and structure of di-μ-bromo-bis[(1,5-dimethyl-6-oxo-3-(2-pyridyl)verdazyl)copper(I)] †
• Authors of publication: Brook, David J. R.; Fornell, Spring; Noll, Bruce; Yee, Gordon T.; Koch, Tad H.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 2019
• a: 7.066 ± 0.0005 Å
• b: 17.4656 ± 0.0014 Å
• c: 10.5602 ± 0.0008 Å
• α: 90°
• β: 102.007 ± 0.002°
• γ: 90°
• Cell volume: 1274.74 ± 0.17 ų
• Cell temperature: 142 ± 2 K
• Ambient diffraction temperature: 142 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1162
• Residual factor for significantly intense reflections: 0.0584
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No