Information card for entry 7053021

Structure parameters

• Formula: C4 H16 Co N11 O3
• Calculated formula: C4 H16 Co N11 O3
• SMILES: C1C[NH2][Co]2([NH2]1)(N=N#N)([NH2]CC[NH2]2)N=N#N.N(=O)(=O)[O-]
• Title of publication: Preparation, crystal structures, thermal decompositions and explosive properties of two new high-nitrogen azide ethylenediamine energetic compounds
• Authors of publication: Wu, Bi-Dong; Zhou, Zun-Ning; Li, Fu-Gang; Yang, Li; Zhang, Tong-Lai; Zhang, Jian-Guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2013
• Journal volume: 37
• Journal issue: 3
• Pages of publication: 646
• a: 13.671 ± 0.004 Å
• b: 9.447 ± 0.002 Å
• c: 9.343 ± 0.003 Å
• α: 90°
• β: 100.349 ± 0.003°
• γ: 90°
• Cell volume: 1187 ± 0.6 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections included in the refinement: 0.0778
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No