Information card for entry 8107059

Structure parameters

• Formula: C52 H42 Cd2 N4 O14
• Calculated formula: C52 H38 Cd2 N4 O12 S2
• Title of publication: Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ4-4,4′-sulfonyldibenzoato-κ4 O:O′:O′′:O′′′)dicadmium(II)] monohydrate, C52H42N4O14Cd2
• Authors of publication: Xu, Chunying; Tang, Siye; Chu, Wenjuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 951 - 953
• a: 9.0684 ± 0.0018 Å
• b: 12.585 ± 0.003 Å
• c: 12.697 ± 0.003 Å
• α: 101.14 ± 0.03°
• β: 106.98 ± 0.03°
• γ: 102.06 ± 0.03°
• Cell volume: 1304.3 ± 0.7 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: 0.0303
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.083
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No