Information card for entry 7011498

Structure parameters

• Formula: C103 H146 Cl2 Fe2 N6 O6
• Calculated formula: C103 H146 Cl2 Fe2 N6 O6
• Title of publication: Phenoxyl radical FeIII complex of cis,cis-1,3,5-tris(3',5'-di-tert-butylsalicylaldimino)cyclohexane, spectro-electrochemical and structural studies
• Authors of publication: Alison K. Nairn; Rajiv Bhalla; Simon P. Foxon; Xiaoming Liu; Lesley J. Yellowlees; Bruce C. Gilbert; Paul H. Walton
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 7
• Pages of publication: 1253 - 1255
• a: 16.709 ± 0.018 Å
• b: 19.77 ± 0.02 Å
• c: 16.444 ± 0.012 Å
• α: 92.62 ± 0.08°
• β: 108.58 ± 0.06°
• γ: 101.36 ± 0.08°
• Cell volume: 5014 ± 9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.3183
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 0.94
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No