Information card for entry 7211245

Structure parameters

• Formula: C54 H42 Cd2 N4 O14
• Calculated formula: C54 H38 Cd2 N4 O14
• Title of publication: Five new coordination polymers based on a semi-rigid dicarboxylic acid and versatile N-donor ligands: synthesis, characterization and properties
• Authors of publication: Guo, Xianmin; Guo, Huadong; Zou, Hengye; Qi, Yanjuan; Chen, Ruizhan
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 44
• Pages of publication: 9112
• a: 10.9446 ± 0.0009 Å
• b: 15.2526 ± 0.0012 Å
• c: 16.0944 ± 0.0013 Å
• α: 102.793 ± 0.001°
• β: 105.421 ± 0.001°
• γ: 99.034 ± 0.001°
• Cell volume: 2458.2 ± 0.3 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: 0.074
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0739
• Weighted residual factors for all reflections included in the refinement: 0.0895
• Goodness-of-fit parameter for all reflections included in the refinement: 0.859
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No