Information card for entry 7207146

Structure parameters

• Formula: C16 H12 Cd N2 O8
• Calculated formula: C16 H12 Cd N2 O8
• Title of publication: Five coordination networks based on zwitterionic ligands: synthesis, crystal structures and optical properties
• Authors of publication: Kong, Guo-Qiang; Wu, Chuan-De
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 3
• Pages of publication: 847
• a: 7.8622 ± 0.0005 Å
• b: 7.8443 ± 0.0004 Å
• c: 14.2865 ± 0.0009 Å
• α: 90°
• β: 102.523 ± 0.006°
• γ: 90°
• Cell volume: 860.14 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.051
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1035
• Weighted residual factors for all reflections included in the refinement: 0.1065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No