Information card for entry 8105440

Structure parameters

• Formula: C25 H22 Cd N3 O8
• Calculated formula: C25 H22 Cd N3 O8
• Title of publication: Crystal structure of poly[tetraaqua-bis(μ4-5-(4-carboxy-benzylamino)-isophthalato-κ4 O,O′:O′′:O′′′)-(μ2-4,4′-di(1H-imidazol-1-yl)-1,1′-biphenyl-κ2 N:N′)dicadmium(II)], C25H22N3O8Cd
• Authors of publication: Li, Shi-Hui; Li, Guan-Feng; Zhang, Li
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2020
• Journal volume: 235
• Journal issue: 6
• Pages of publication: 1271 - 1273
• a: 10.2722 ± 0.001 Å
• b: 10.6897 ± 0.0011 Å
• c: 12.5667 ± 0.0013 Å
• α: 79.698 ± 0.009°
• β: 72.168 ± 0.009°
• γ: 63.166 ± 0.01°
• Cell volume: 1170.8 ± 0.2 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: 0.09
• Residual factor for significantly intense reflections: 0.0618
• Weighted residual factors for significantly intense reflections: 0.0984
• Weighted residual factors for all reflections included in the refinement: 0.1078
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No