Information card for entry 2232396

Structure parameters

• Chemical name: Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>, <i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4- bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]
• Formula: C54 H44 Br4 Cd2 N4 O8
• Calculated formula: C54 H44 Br4 Cd2 N4 O8
• Title of publication: Bis(μ-4-bromobenzoato)-κ^3^<i>O</i>,<i>O</i>':<i>O</i>';<i>O</i>:<i>O</i>,<i>O</i>'-bis[μ-1,3-bis(pyridin-4-yl)propane-κ^2^<i>N</i>:<i>N</i>']bis[(4-bromobenzoato-κ^2^<i>O</i>,<i>O</i>')cadmium]
• Authors of publication: Liu, Dong; Zi, Yan-Qin; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 11
• Pages of publication: m1621
• a: 13.7829 ± 0.001 Å
• b: 13.7829 Å
• c: 27.8235 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5285.6 ± 0.5 ų
• Cell temperature: 223 ± 2 K
• Ambient diffraction temperature: 223 ± 2 K
• Number of distinct elements: 6
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0501
• Residual factor for significantly intense reflections: 0.0438
• Weighted residual factors for significantly intense reflections: 0.1001
• Weighted residual factors for all reflections included in the refinement: 0.1036
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes