Information card for entry 7063111

Structure parameters

• Formula: C12 H16 Cl2 Cu N8 O16
• Calculated formula: C12 H16 Cl2 Cu N8 O16
• SMILES: [Cu]12([O]=C(N[NH2]2)c2cc[nH+]cc2)([O]=C(N[NH2]1)c1cc[nH+]cc1)(ON(=O)=O)ON(=O)=O.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: A novel energetic pyridine-2-carbohydrazide copper perchlorate complex: synthesis, cationic ligand structure and properties
• Authors of publication: Kuang, Bao-long; Lu, Zu-jia; Zhao, Bin-shan; Wang, Ting-wei; Sun, Mou; Zhang, Chao; Xu, Mei-qi; Yu, Qi-yao; Zhang, Jian-guo
• Journal of publication: New Journal of Chemistry
• Year of publication: 2024
• Journal volume: 48
• Journal issue: 17
• Pages of publication: 7946 - 7952
• a: 10.1057 ± 0.0008 Å
• b: 15.7064 ± 0.001 Å
• c: 14.8468 ± 0.0011 Å
• α: 90°
• β: 105.467 ± 0.007°
• γ: 90°
• Cell volume: 2271.2 ± 0.3 ų
• Cell temperature: 115.3 ± 0.1 K
• Ambient diffraction temperature: 115.3 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.1129
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No