Information card for entry 7238367

Structure parameters

• Formula: C96 H102 N24 O27 Zn6
• Calculated formula: C96 H102 N24 O27 Zn6
• Title of publication: Hydrothermal syntheses, structures and luminescent properties of Zn(ii) coordination polymers assembled with benzene-1,2,3-tricarboxylic acid involving in situ ligand reactions
• Authors of publication: Liu, Wenlong; Yu, Jianghua; Jiang, Jiaxun; Yuan, Limin; Xu, Bin; Liu, Qiang; Qu, Botao; Zhang, Guoqing; Yan, Chaoguo
• Journal of publication: CrystEngComm
• Year of publication: 2011
• Journal volume: 13
• Journal issue: 7
• Pages of publication: 2764
• a: 10.5883 ± 0.001 Å
• b: 20.2922 ± 0.0019 Å
• c: 24.9206 ± 0.0019 Å
• α: 90°
• β: 111.197 ± 0.003°
• γ: 90°
• Cell volume: 4992.2 ± 0.8 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0863
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1049
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No