Information card for entry 7218437

Structure parameters

• Formula: C10 H9 Cd Cl N6 O
• Calculated formula: C10 H9 Cd Cl N6 O
• Title of publication: Assembly of Cd(ii) coordination polymers: structural variation, supramolecular isomers, and temperature/anion-induced solvent-mediated structural transformations
• Authors of publication: Hou, Shuang-Shuang; Huang, Xuan; Guo, Jun-Gu; Zheng, Sheng-Run; Lei, Jing; Tan, Jing-Bo; Fan, Jun; Zhang, Wei-Guang
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 4
• Pages of publication: 947
• a: 13.27 ± 0.004 Å
• b: 13.217 ± 0.004 Å
• c: 6.92 ± 0.002 Å
• α: 90°
• β: 100.561 ± 0.003°
• γ: 90°
• Cell volume: 1193.1 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1108
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No