Information card for entry 1560334

Structure parameters

• Formula: C37 H37 Cd2 N3 O11
• Calculated formula: C37 H35 Cd2 N3 O11
• 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: 32.73 ± 0.003 Å
• b: 9.2717 ± 0.0009 Å
• c: 29.896 ± 0.003 Å
• α: 90°
• β: 113.742 ± 0.002°
• γ: 90°
• Cell volume: 8304.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for significantly intense reflections: 0.181
• Weighted residual factors for all reflections included in the refinement: 0.1892
• 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