Information card for entry 4115997

Structure parameters

• Formula: C6 H15 Cl Fe N6 O9
• Calculated formula: C6 H15 Cl Fe N6 O9
• 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: 13.45 ± 0.002 Å
• b: 8.1261 ± 0.0008 Å
• c: 13.478 ± 0.002 Å
• α: 90°
• β: 109.43 ± 0.02°
• γ: 90°
• Cell volume: 1389.2 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0746
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for all reflections: 0.1207
• Weighted residual factors for significantly intense reflections: 0.108
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.132
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No