Information card for entry 4114281

Structure parameters

• Formula: C3 H5 F6 Fe N4 O3 P
• Calculated formula: C3 H5 F6 Fe N4 O3 P
• Title of publication: Toward Binary Nitrosyls: Distinctly Bent Fe-N-O Linkages in Base-Stabilized Fe(NO)3+ Complexes
• Authors of publication: Trevor W. Hayton; W. Stephen McNeil; Brian O. Patrick; Peter Legzdins
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12935 - 12944
• a: 7.472 ± 0.001 Å
• b: 7.539 ± 0.001 Å
• c: 12.357 ± 0.001 Å
• α: 73.44 ± 0.01°
• β: 89.41 ± 0.01°
• γ: 61.11 ± 0.01°
• Cell volume: 577.41 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0871
• Residual factor for significantly intense reflections: 0.0682
• Weighted residual factors for significantly intense reflections: 0.1912
• Weighted residual factors for all reflections included in the refinement: 0.2017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No