Information card for entry 7207224

Structure parameters

• Formula: C18 H17 Cd N5 O7
• Calculated formula: C18 H17 Cd N5 O7
• Title of publication: Auxiliary ligand-directed synthesis of cadmium(ii) and zinc(ii) complexes from 1-D chains to 3-D architectures with 5-nitroisophthalate
• Authors of publication: Lu, Xinyi; Ye, Junwei; Li, Wei; Gong, Weitao; Yang, Lijian; Lin, Yuan; Ning, Guiling
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1337
• a: 8.4601 ± 0.0005 Å
• b: 10.0552 ± 0.0006 Å
• c: 12.9572 ± 0.0007 Å
• α: 68.863 ± 0.004°
• β: 84.699 ± 0.004°
• γ: 87.698 ± 0.004°
• Cell volume: 1023.66 ± 0.11 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: 0.0707
• Residual factor for significantly intense reflections: 0.0681
• Weighted residual factors for significantly intense reflections: 0.1881
• Weighted residual factors for all reflections included in the refinement: 0.192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No