Information card for entry 7235883

Structure parameters

• Formula: C12 H32 N16 Ni O
• Calculated formula: C12 H32 N16 Ni O
• 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: 9.439 ± 0.005 Å
• b: 10.414 ± 0.004 Å
• c: 12.275 ± 0.005 Å
• α: 103.658 ± 0.007°
• β: 109.217 ± 0.005°
• γ: 99.019 ± 0.007°
• Cell volume: 1070.4 ± 0.8 ų
• Ambient diffraction temperature: 140.15 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: 0.0672
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1835
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0649
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No