Information card for entry 4337572

Structure parameters

• Formula: C66 H89 Fe Li N3 O5
• Calculated formula: C66 H89 Fe Li N3 O5
• Title of publication: Multiple, disparate redox pathways exhibited by a tris(pyrrolido)ethane iron complex.
• Authors of publication: Sazama, Graham T.; Betley, Theodore A.
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 1
• Pages of publication: 269 - 281
• a: 12.0492 ± 0.0003 Å
• b: 13.4546 ± 0.0004 Å
• c: 36.7591 ± 0.0009 Å
• α: 90°
• β: 93.767 ± 0.002°
• γ: 90°
• Cell volume: 5946.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1005
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.138
• Weighted residual factors for all reflections included in the refinement: 0.1573
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No