Information card for entry 7054454

Structure parameters

• Formula: C22 H21 Fe N5 O7
• Calculated formula: C22 H21 Fe N5 O7
• SMILES: [Fe]12345678([c]9([cH]1[cH]2[cH]3[cH]49)C[n+]1ccn(c1)CC)[cH]1[cH]8[cH]7[cH]6[cH]51.c1([O-])c(cc(cc1N(=O)=O)N(=O)=O)N(=O)=O
• Title of publication: Low-migratory ionic ferrocene-based burning rate catalysts with high combustion catalytic efficiency
• Authors of publication: Liu, Xuelin; Zhang, Weiqiang; Zhang, Guofang; Gao, Ziwei
• Journal of publication: New J. Chem.
• Year of publication: 2015
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 155
• a: 9.4141 ± 0.0004 Å
• b: 11.4937 ± 0.0005 Å
• c: 11.5265 ± 0.0006 Å
• α: 109.571 ± 0.004°
• β: 96.214 ± 0.004°
• γ: 105.601 ± 0.004°
• Cell volume: 1104.49 ± 0.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.049
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.1011
• Weighted residual factors for all reflections included in the refinement: 0.1117
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No