Information card for entry 7211392

Structure parameters

• Formula: C8 H8 Cd N14 O2.5
• Calculated formula: C8 H8 Cd N14 O2.5
• Title of publication: A series of coordination polymers based on a 5-(3′-amine-1′H-pyrazol-4′-yl)-1H-tetrazole ligand: synthesis, structure and properties
• Authors of publication: Tian, Li; Niu, Zheng; Liu, Zhong-Yi; Zhou, Shang-Yong; Cheng, Peng
• Journal of publication: CrystEngComm
• Year of publication: 2013
• Journal volume: 15
• Journal issue: 46
• Pages of publication: 10094
• a: 8.3955 ± 0.0017 Å
• b: 16.678 ± 0.003 Å
• c: 13.398 ± 0.004 Å
• α: 90°
• β: 128.62 ± 0.02°
• γ: 90°
• Cell volume: 1465.7 ± 0.7 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• 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: 0.0785
• Residual factor for significantly intense reflections: 0.0609
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.19
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No