Information card for entry 1562601

Structure parameters

• Formula: C44 H48 Cd2 N4 O16
• Calculated formula: C44 H48 Cd2 N4 O16
• SMILES: C(=O)(C(=C)C)Nc1c(C2=[O][Cd]34([O]=C(O4)c4ccccc4NC(=O)C(=C)C)([OH2])([O]2[Cd]24([O]3C(c3ccccc3NC(=O)C(=C)C)=[O]2)(OC(=[O]4)c2ccccc2NC(=O)C(=C)C)([OH2])[OH2])[OH2])cccc1
• Title of publication: Synthesis, structures of four coordination compounds constructed from o-methacrylamidobenzoic acid and their relationship between structure and solid state luminescence
• Authors of publication: Chen, Hong-Xia; Ma, Yong; Zhou, Feng; Wu, Bing; Xu, Qing-Feng; Lu, Jian-Mei; Ge, Jian-Feng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 203
• Pages of publication: 1 - 7
• a: 8.9842 ± 0.0005 Å
• b: 10.1349 ± 0.0008 Å
• c: 13.8013 ± 0.001 Å
• α: 80.705 ± 0.006°
• β: 87.854 ± 0.005°
• γ: 72.433 ± 0.006°
• Cell volume: 1182.24 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0465
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.06
• Weighted residual factors for all reflections included in the refinement: 0.0641
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No