Information card for entry 8106685

Structure parameters

• Formula: C20 H22 Cd F4 N4 O6
• Calculated formula: C20 H22 Cd F4 N4 O6
• Title of publication: Crystal structure of catena-poly[aqua-(μ 2-hexamethylenetetramine-κ 2 N:N′)-bis(2,6-difluorobenzoato-κ 2 O:O′)cadmium(II)]monohydrate, C20H22CdF4N4O6
• Authors of publication: Hou-Qun, Yuan; Wen-Min, Wang; Chang-Gan, Huang; Wei, Xiao; Guang-Ming, Bao
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2017
• Journal volume: 232
• Journal issue: 5
• Pages of publication: 807 - 809
• a: 7.475 ± 0.003 Å
• b: 12.246 ± 0.005 Å
• c: 24.615 ± 0.011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2253.2 ± 1.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0266
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0706
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No