Information card for entry 8104636

Structure parameters

• Formula: C17 H14 Cd F4 N4 O5
• Calculated formula: C17 H14 Cd F4 N4 O5
• Title of publication: Crystal structure of poly[aqua-(μ2-1,3-di(1H-imidazol-1-yl)propane-κ2 N:N′)-(μ3-2,3,5,6-tetrafluoroterephthalato-κ3 O:O′:O′′)cadmium(II)], C17H14N4O5F4Cd
• Authors of publication: Guo, Yu-Mei; Tang, Bo; Ge, Hong-Guang; Huang, Pei; Lu, Jiu-Fu
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2021
• Journal volume: 236
• Journal issue: 5
• Pages of publication: 965 - 967
• a: 9.6671 ± 0.0007 Å
• b: 20.0783 ± 0.0013 Å
• c: 10.4225 ± 0.0007 Å
• α: 90°
• β: 107.365 ± 0.001°
• γ: 90°
• Cell volume: 1930.8 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0295
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0852
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No