Information card for entry 1560332

Structure parameters

• Formula: C70 H66 Cd3 N4 O16
• Calculated formula: C70 H66 Cd3 N4 O16
• Title of publication: Supramolecular isomerism in cadmium (II) coordination polymers from benzene-1,3,5-tribenzoate (BTB): Syntheses, structures and luminescent properties
• Authors of publication: Zhang, Jian-Yong; Cui, Peng-Hui; Shi, Jun-Xia; Zhang, Na; Deng, Wei
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2017
• Journal volume: 256
• Pages of publication: 227 - 233
• a: 9.5879 ± 0.0006 Å
• b: 14.577 ± 0.0009 Å
• c: 14.811 ± 0.0009 Å
• α: 69.964 ± 0.001°
• β: 85.828 ± 0.001°
• γ: 89.311 ± 0.001°
• Cell volume: 1939.4 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0585
• Residual factor for significantly intense reflections: 0.0503
• Weighted residual factors for significantly intense reflections: 0.1846
• Weighted residual factors for all reflections included in the refinement: 0.1941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No