Information card for entry 7238803

Structure parameters

• Formula: C24 H34 Fe N18 O18.5
• Calculated formula: C24 H34 Fe N18 O18.5
• Title of publication: Synthesis, crystal structure and properties of energetic complexes constructed from transition metal cations (Fe and Co) and ANPyO
• Authors of publication: Liu, Jin-Jian; Liu, Zu-Liang; Cheng, Jian; Fang, Dong
• Journal of publication: RSC Advances
• Year of publication: 2013
• Journal volume: 3
• Journal issue: 9
• Pages of publication: 2917
• a: 11.715 ± 0.002 Å
• b: 12.9 ± 0.003 Å
• c: 14.978 ± 0.003 Å
• α: 68.45 ± 0.03°
• β: 89.43 ± 0.03°
• γ: 73.76 ± 0.03°
• Cell volume: 2010.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.168
• Residual factor for significantly intense reflections: 0.0763
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1669
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No