Information card for entry 7063113

Structure parameters

• Formula: C6 H11 Cl2 N3 O10
• Calculated formula: C6 H11 Cl2 N3 O10
• SMILES: Cl(=O)(=O)(=O)[O-].O.Cl(=O)(=O)(=O)[O-].O=C(N[NH3+])c1cc[nH+]cc1
• 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: 4.9151 ± 0.0006 Å
• b: 10.5757 ± 0.0016 Å
• c: 12.47 ± 0.003 Å
• α: 90°
• β: 94.788 ± 0.016°
• γ: 90°
• Cell volume: 645.9 ± 0.2 ų
• Cell temperature: 115.45 ± 0.1 K
• Ambient diffraction temperature: 115.45 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0491
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.0969
• Goodness-of-fit parameter for all reflections included in the refinement: 0.99
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No