Information card for entry 4102244

Structure parameters

• Formula: C57 H49.5 Fe N5.5 O4 P3
• Calculated formula: C57 H49.5 Fe N5.5 O4 P3
• Title of publication: Roles of the Distinct Electronic Structures of the {Fe(NO)2}9 and {Fe(NO)2}10 Dinitrosyliron Complexes in Modulating Nitrite Binding Modes and Nitrite Activation Pathways
• Authors of publication: Fu-Te Tsai; Pei-Lin Chen; Wen-Feng Liaw
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2010
• Journal volume: 132
• Pages of publication: 5290 - 5299
• a: 10.1353 ± 0.0003 Å
• b: 15.5214 ± 0.0005 Å
• c: 16.7544 ± 0.0005 Å
• α: 77.035 ± 0.002°
• β: 78.642 ± 0.001°
• γ: 83.664 ± 0.002°
• Cell volume: 2512.16 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.0408
• Weighted residual factors for significantly intense reflections: 0.1086
• Weighted residual factors for all reflections included in the refinement: 0.1163
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No