Information card for entry 4334990

Structure parameters

• Formula: C80 H46 F36 Fe2 K2 N12
• Calculated formula: C80 H46 F36 Fe2 K2 N12
• 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: 32.8931 ± 0.0011 Å
• b: 10.007 ± 0.0004 Å
• c: 27.0087 ± 0.0009 Å
• α: 90°
• β: 114.266 ± 0.002°
• γ: 90°
• Cell volume: 8104.7 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0633
• Residual factor for significantly intense reflections: 0.0457
• Weighted residual factors for significantly intense reflections: 0.1125
• Weighted residual factors for all reflections included in the refinement: 0.1238
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No