Information card for entry 7721065

Structure parameters

• Formula: C36 H46 B2 F8 Mn N12
• Calculated formula: C36 H46 B2 F8 Mn N12
• Title of publication: Energetic Mn(II)/Ni(II) Coordination Compounds in Catalyzing RDX and HMX Decomposition and Enhancing Combustion
• Authors of publication: Ge, Mingcheng; Liu, Xuankun; Yang, Jianguo; Yan, Jinfeng; Zhang, Jianguo; Li, Zhimin
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.4551 ± 0.0014 Å
• b: 14.66 ± 0.002 Å
• c: 17.989 ± 0.004 Å
• α: 90°
• β: 104.662 ± 0.017°
• γ: 90°
• Cell volume: 2157.2 ± 0.7 ų
• Cell temperature: 118.95 ± 0.1 K
• Ambient diffraction temperature: 118.95 ± 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: 0.2161
• Residual factor for significantly intense reflections: 0.1252
• Weighted residual factors for significantly intense reflections: 0.3069
• Weighted residual factors for all reflections included in the refinement: 0.3692
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No