Information card for entry 8107058

Structure parameters

• Formula: C64 H54 Cd2 N8 O11
• Calculated formula: C64 H54 Cd2 N8 O11
• Title of publication: Crystal structure of poly-[μ-1,4-bis(2-ethylbenzimidazol-1-ylmethyl)benzene-κ2 N:N′)-bis(μ3-5-hydroxyisophthalate(2–)-κ3 O,O′:O′′)dicadmium(II)] monohydrate, C64H54N8O11Cd2
• Authors of publication: Xu, Chunying; Liu, Lu; Lou, Xinhua
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 3
• Pages of publication: 947 - 949
• a: 10.314 ± 0.002 Å
• b: 18.29 ± 0.004 Å
• c: 16.516 ± 0.006 Å
• α: 90°
• β: 113.91 ± 0.02°
• γ: 90°
• Cell volume: 2848.3 ± 1.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0526
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.089
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No