Information card for entry 4126493

Structure parameters

• Formula: C80.5 H71 As5 B Cl F4 Fe2
• Calculated formula: C80.5 H71 As5 B Cl F4 Fe2
• Title of publication: Transfer Reagent for Bonding Isomers of Iron Complexes.
• Authors of publication: Schmidt, Monika; Seitz, Andreas E.; Eckhardt, Maria; Balázs, Gábor; Peresypkina, Eugenia V.; Virovets, Alexander V.; Riedlberger, Felix; Bodensteiner, Michael; Zolnhofer, Eva M.; Meyer, Karsten; Scheer, Manfred
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2017
• a: 31.10717 ± 0.00018 Å
• b: 22.29586 ± 0.00014 Å
• c: 19.62199 ± 0.00012 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13609 ± 0.14 ų
• Cell temperature: 122.8 ± 0.7 K
• Ambient diffraction temperature: 122.8 ± 0.7 K
• Number of distinct elements: 7
• Space group number: 30
• Hermann-Mauguin space group symbol: P n c 2
• Hall space group symbol: P 2 -2bc
• Residual factor for all reflections: 0.0258
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0589
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No