Information card for entry 4334988

Structure parameters

• Formula: C26 H18 F12 Fe N4 O
• Calculated formula: C26 H18 F12 Fe N4 O
• SMILES: [Fe]12([O]3CCCC3)([n]3ccccc3c3n1c(cc3C(F)(F)F)C(F)(F)F)[n]1ccccc1c1n2c(cc1C(F)(F)F)C(F)(F)F
• Title of publication: Correction to 2,2'-Pyridylpyrrolide Ligand Redistribution Following Reduction
• Authors of publication: Keith Searles; Atanu K. Das; René W. Buell; Maren Pink; Chun-Hsing Chen; Kuntal Pal; David Gene Morgan; Daniel J. Mindiola; Kenneth G. Caulton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 6231 - 6231
• a: 8.9011 ± 0.0009 Å
• b: 17.6872 ± 0.0017 Å
• c: 16.7492 ± 0.0017 Å
• α: 90°
• β: 96.152 ± 0.002°
• γ: 90°
• Cell volume: 2621.7 ± 0.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0594
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for all reflections: 0.0819
• Weighted residual factors for significantly intense reflections: 0.0754
• Weighted residual factors for all reflections included in the refinement: 0.0819
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No