Information card for entry 2018921

Structure parameters

• Chemical name: Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate
• Formula: C42 H40 Cl2 Cu2 N6 O8
• Calculated formula: C42 H40 Cl2 Cu2 N6 O8
• SMILES: Clc1ccccc1OCC1=N[N]2=Cc3c([O]4[Cu]2(O1)([n]1ccccc1)[O]1[Cu]24(OC(=N[N]2=Cc2c1cccc2)COc1ccccc1Cl)[n]1ccccc1)cccc3.OC.OC
• Title of publication: Bis[μ-2-({2-[2-(2-chlorophenoxy)-1-oxidoethylidene]hydrazinylidene}methyl)phenolato]bis[pyridinecopper(II)] methanol disolvate
• Authors of publication: Zhao, Ning
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 4
• Pages of publication: 348 - 350
• a: 7.557 ± 0.0016 Å
• b: 12.223 ± 0.003 Å
• c: 12.681 ± 0.003 Å
• α: 111.615 ± 0.003°
• β: 92.294 ± 0.004°
• γ: 101.13 ± 0.004°
• Cell volume: 1060.5 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0381
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1141
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes