Information card for entry 7720099

Structure parameters

• Formula: C3 H8 Br Cd1.5 N8 O3
• Calculated formula: C3 H8 Br Cd1.5 N8 O3
• Title of publication: Design and Synthesis of Zn(II)/Cd(II) Based Energetic Metal Coordination Polymers with Bistetrazolemethane (H2btm) Ligand: Comparative Assessment of Heat Resistance and Catalytic Effect on Thermal Decomposition of Ammonium Perchlorate
• Authors of publication: Singla, Priyanka; Sharma, Vanshika; ., Yashita; Soni, Pramod; Rao, M. Raghavendra; Singh, Arjun; Sahoo, Subash Chandra
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 9.6138 ± 0.0003 Å
• b: 8.5984 ± 0.0003 Å
• c: 13.8852 ± 0.0004 Å
• α: 90°
• β: 96.521 ± 0.003°
• γ: 90°
• Cell volume: 1140.37 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0315
• Residual factor for significantly intense reflections: 0.0239
• Weighted residual factors for significantly intense reflections: 0.0505
• Weighted residual factors for all reflections included in the refinement: 0.0525
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No