Information card for entry 8105721

Structure parameters

• Formula: C18 H14 Cu N6 O5
• Calculated formula: C18 H14 Cu N6 O5
• Title of publication: Crystal structure of catena-poly[aqua-bis[μ 2-6-(1H-imidazol-1-yl)nicotinato-κ2 N,O]copper(II)], C18H14N6O5Cu
• Authors of publication: Hong, Dong-Feng; Li, Meng-Fei; Chu, Tian-Tian
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 3
• Pages of publication: 453 - 454
• a: 14.1337 ± 0.0005 Å
• b: 5.8568 ± 0.0002 Å
• c: 21.2295 ± 0.0006 Å
• α: 90°
• β: 105.074 ± 0.003°
• γ: 90°
• Cell volume: 1696.87 ± 0.1 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 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: 0.0251
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No