Information card for entry 1502652

Structure parameters

• Formula: C18 H36 Cd N42 O18
• Calculated formula: C18 H36 Cd N42 O18
• SMILES: [Cd]([n]1nnn(N)c1N)([n]1nnn(N)c1N)([n]1nnn(N)c1N)([n]1nnn(N)c1N)([n]1nnn(N)c1N)[n]1nnn(N)c1N.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O.O.[O-]c1c(cc(N(=O)=O)cc1N(=O)=O)N(=O)=O.O.O
• Title of publication: A Novel Nitrogen-Rich Cadmium Coordination Compound Based on 1,5-Diaminotetrazole: Synthesis, Structure Investigation, and Thermal Properties
• Authors of publication: Li, Zhi-Min; Zhang, Jian-Guo; Cui, Yan; Zhang, Tong-Lai; Shu, Yuan-Jie; Sinditskii, Valery P.; Serushkin, Valery V.; Egorshin, Vyacheslav Yu.
• Journal of publication: Journal of Chemical & Engineering Data
• Year of publication: 2010
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 3109
• a: 10.3425 ± 0.0013 Å
• b: 10.3727 ± 0.0013 Å
• c: 11.9922 ± 0.0015 Å
• α: 110.546 ± 0.002°
• β: 104.412 ± 0.002°
• γ: 97.464 ± 0.002°
• Cell volume: 1132.8 ± 0.2 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0285
• Residual factor for significantly intense reflections: 0.0268
• Weighted residual factors for significantly intense reflections: 0.0683
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No