Information card for entry 8107187

Structure parameters

• Formula: C19 H16 Cu N6 O5
• Calculated formula: C19 H16 Cu N6 O5
• Title of publication: Crystal structure of poly[(μ2-1-(1-imidazolyl)-4-(imidazol-1-ylmethyl)benzene-κ2 N:N′)-(μ3-pyridazine-4,5-dicarboxylate-κ3 O:O′:N)]copper(II) hydrate, C19H16CuN6O5
• Authors of publication: Liu, Guang-Zhen; Wang, Xiu-Jin; Wei, Wen-Hui
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 681 - 683
• a: 9.0143 ± 0.0003 Å
• b: 9.2122 ± 0.0003 Å
• c: 11.8205 ± 0.0004 Å
• α: 82.9 ± 0.003°
• β: 74.593 ± 0.003°
• γ: 83.612 ± 0.003°
• Cell volume: 935.9 ± 0.06 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: 0.0301
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0684
• Weighted residual factors for all reflections included in the refinement: 0.0692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No