Information card for entry 8106210

Structure parameters

• Formula: C28 H28 Cu N2 O9
• Calculated formula: C28 H28 Cu N2 O9
• Title of publication: Crystal structure of aqua-bis(3,4-dimethoxybenzoato-κ1 O)-(2,2′-bipyridine-κ2 N,N′)copper(II), C28H26CuN2O9
• Authors of publication: He, Guofang; Sun, Junshan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2018
• Journal volume: 233
• Journal issue: 4
• Pages of publication: 543 - 544
• a: 12.3146 ± 0.0011 Å
• b: 11.1769 ± 0.001 Å
• c: 19.3856 ± 0.0017 Å
• α: 90°
• β: 101.012 ± 0.001°
• γ: 90°
• Cell volume: 2619.1 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0385
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.099
• Weighted residual factors for all reflections included in the refinement: 0.1005
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No