Information card for entry 7235884

Structure parameters

• Formula: C8 H20 N14 Ni
• Calculated formula: C8 H20 N14 Ni
• Title of publication: Two nitrogen-rich Ni(ii) coordination compounds based on 5,5′-azotetrazole: synthesis, characterization and effect on thermal decomposition for RDX, HMX and AP
• Authors of publication: Chen, Dong; Huang, Shiliang; Zhang, Qi; Yu, Qian; Zhou, Xiaoqing; Li, Hongzhen; Li, Jinshan
• Journal of publication: RSC Advances
• Year of publication: 2015
• Journal volume: 5
• Journal issue: 41
• Pages of publication: 32872
• a: 6.7483 ± 0.0008 Å
• b: 8.2141 ± 0.0009 Å
• c: 8.2854 ± 0.0009 Å
• α: 113.252 ± 0.01°
• β: 112.492 ± 0.011°
• γ: 97.526 ± 0.01°
• Cell volume: 367.73 ± 0.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0701
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1503
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No