Information card for entry 7721066

Structure parameters

• Formula: C36 H48 B2 F8 N12 Ni
• Calculated formula: C36 H48 B2 F8 N12 Ni
• 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: 8.44 ± 0.0008 Å
• b: 14.2634 ± 0.0014 Å
• c: 18.063 ± 0.005 Å
• α: 90°
• β: 104.819 ± 0.015°
• γ: 90°
• Cell volume: 2102.2 ± 0.7 ų
• Cell temperature: 115.95 ± 0.1 K
• Ambient diffraction temperature: 115.95 ± 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: 0.1128
• Residual factor for significantly intense reflections: 0.0664
• Weighted residual factors for significantly intense reflections: 0.1259
• Weighted residual factors for all reflections included in the refinement: 0.1576
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No