Information card for entry 7058737

Structure parameters

• Formula: C16 H20 Fe N10 O20
• Calculated formula: C16 H20 Fe N10 O20
• Title of publication: Energetic transition metal complexes based on methyl carbazate and picric acid: syntheses, structures, physicochemical properties and catalysis on the thermal decomposition of ammonium perchlorate
• Authors of publication: Yang, Xiaoming; Wang, Yanna; Li, Zhimin; Du, Jiang; Wang, Lin; Zhang, Tonglai
• Journal of publication: New Journal of Chemistry
• Year of publication: 2019
• Journal volume: 43
• Journal issue: 35
• Pages of publication: 14159
• a: 14.392 ± 0.003 Å
• b: 7.9132 ± 0.0016 Å
• c: 24.259 ± 0.005 Å
• α: 90°
• β: 101.34 ± 0.03°
• γ: 90°
• Cell volume: 2708.8 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0456
• Residual factor for significantly intense reflections: 0.0427
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.1029
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No