Information card for entry 7218708

Structure parameters

• Formula: C23 H16 Cd N3 O5
• Calculated formula: C23 H16 Cd N3 O5
• Title of publication: Positional isomeric effect on the structural variation of Cd(ii) coordination polymers based on flexible linear/V-shaped bipyridyl benzene ligands
• Authors of publication: Liu, Lei-Lei; Yu, Cai-Xia; Li, Ya-Ru; Han, Jing-Jing; Ma, Feng-Ji; Ma, Lu-Fang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 3
• Pages of publication: 653
• a: 9.976 ± 0.002 Å
• b: 10.462 ± 0.002 Å
• c: 10.933 ± 0.002 Å
• α: 81.98 ± 0.03°
• β: 67.17 ± 0.03°
• γ: 84.87 ± 0.03°
• Cell volume: 1040.6 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0187
• Residual factor for significantly intense reflections: 0.0177
• Weighted residual factors for significantly intense reflections: 0.0479
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No