Information card for entry 8107045

Structure parameters

• Formula: C24 H19 Cd N2 O5
• Calculated formula: C24 H19 Cd N2 O5
• Title of publication: Crystal structure of poly[1,4-bis(2-methylbenzimidazol)butane-κ2 N:N′)bis(4,4′-oxybis(benzoato-κ4 O,O′:O′′,O′′′)dicadmium] monohydrate, C48H38Cd2N4O10
• Authors of publication: Xu, Chunying; Chu, Wenjuan; Lei, Song; Yang, Xuechun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 907 - 909
• a: 22.112 ± 0.004 Å
• b: 9.21 ± 0.0018 Å
• c: 22.977 ± 0.005 Å
• α: 90°
• β: 93.24 ± 0.03°
• γ: 90°
• Cell volume: 4671.8 ± 1.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0389
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0834
• Weighted residual factors for all reflections included in the refinement: 0.0868
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No