Information card for entry 4115996

Structure parameters

• Formula: C10 H24 Cl2 Fe N5 O5
• Calculated formula: C10 H24 Cl2 Fe N5 O5
• Title of publication: The Electronic Structures of an Isostructural Series of Octahedral Nitrosyliron Complexes {Fe-NO}6,7,8 Elucidated by Mössbauer Spectroscopy
• Authors of publication: Christina Hauser; Thorsten Glaser; Eckhard Bill; Thomas Weyhermüller; Karl Wieghardt
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 4352 - 4365
• a: 13.01 ± 0.002 Å
• b: 10.853 ± 0.001 Å
• c: 23.692 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3345.3 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.079
• Residual factor for significantly intense reflections: 0.0536
• Weighted residual factors for all reflections: 0.1242
• Weighted residual factors for significantly intense reflections: 0.1127
• Goodness-of-fit parameter for all reflections: 1.047
• Goodness-of-fit parameter for significantly intense reflections: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No