Information card for entry 7010793

Structure parameters

• Common name: [Fetpenol](PF6).0.5CH3CH2OCH2CH3
• Chemical name: [Fetpenol](PF6).0.5CH3CH2OCH2CH3
• Formula: C25 H34 Cl F6 Fe N5 O0.5 P
• Calculated formula: C25 H34 Cl F6 Fe N5 O0.5 P
• Title of publication: Mononuclear non-heme iron(III) peroxide complexes: syntheses, characterisation, mass spectrometric and kinetic studies
• Authors of publication: Alan Hazell; Christine J. McKenzie; Lars Preuss Nielsen; Siegfried Schindler; Markus Weitzer
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 3
• Pages of publication: 310 - 317
• a: 8.7288 ± 0.0004 Å
• b: 12.3068 ± 0.0006 Å
• c: 13.5844 ± 0.0006 Å
• α: 100.215 ± 0.001°
• β: 96.395 ± 0.001°
• γ: 94.92 ± 0.001°
• Cell volume: 1418.89 ± 0.11 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections included in the refinement: 0.038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No