Information card for entry 1562667

Structure parameters

• Formula: C5 H7 Cd I N6 O2
• Calculated formula: C5 H7 Cd I N6 O2
• Title of publication: Cadmium(II) and Copper(II) coordination polymers based on 5-(Pyrazinyl) tetrazolate ligand: Structure, photoluminescence, theoretical calculations and magnetism
• Authors of publication: Chen, Hui-Fen; Yang, Wen-Bin; Lin, Lang; Guo, Xiang-Guang; Dui, Xue-jing; Wu, Xiao-Yuan; Lu, Can-Zhong; Zhang, Cui-Juan
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2013
• Journal volume: 201
• Pages of publication: 215 - 221
• a: 7.5524 ± 0.0009 Å
• b: 14.0579 ± 0.0019 Å
• c: 9.973 ± 0.0013 Å
• α: 90°
• β: 96.162 ± 0.011°
• γ: 90°
• Cell volume: 1052.7 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0334
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0593
• Weighted residual factors for all reflections included in the refinement: 0.0626
• Goodness-of-fit parameter for all reflections included in the refinement: 1.004
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No