Information card for entry 8106541

Structure parameters

• Formula: C22 H27 Cu N4 O12.5
• Calculated formula: C22 H27 Cu N4 O12.5
• Title of publication: Crystal structure of tetraaqua-bis(1,3-benzimidazol-3-ium-1,3-diacetato-κO)copper(II) hemihydrate, C22H27CuN4O12.50
• Authors of publication: Zhang, Qian; Chen, Lei; Yu, Qiong-Yan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 3
• Pages of publication: 375 - 377
• a: 7.395 ± 0.0011 Å
• b: 9.4574 ± 0.0015 Å
• c: 9.6619 ± 0.0015 Å
• α: 81.139 ± 0.002°
• β: 75.457 ± 0.003°
• γ: 77.974 ± 0.003°
• Cell volume: 636.02 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0389
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.102
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No