Information card for entry 1513021

Structure parameters

• Formula: C7.25 H10.25 Br0.25 N3.5 O1.75 Zn0.5
• Calculated formula: C7.25 H10.25 Br0.25 N3.5 O1.75 Zn0.5
• Title of publication: Polycarboxylate anions effect on the structures of a series of transition metal-based coordination polymers: Syntheses, crystal structures and bioactivities
• Authors of publication: Bing-Jun Zhang; Cui-Juan Wang; Guang-Mei Qiu; Shuai Huang; Xian-Li Zhou; Jie Weng; Yao-Yu Wang
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 397
• Pages of publication: 48 - 59
• a: 17.2256 ± 0.0009 Å
• b: 16.2344 ± 0.0008 Å
• c: 8.5208 ± 0.0003 Å
• α: 90°
• β: 99.01 ± 0.004°
• γ: 90°
• Cell volume: 2353.42 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0831
• Weighted residual factors for significantly intense reflections: 0.2682
• Weighted residual factors for all reflections included in the refinement: 0.2876
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No