Information card for entry 4126492

Structure parameters

• Formula: C34 H58 As4 Fe2
• Calculated formula: C34 H58 As4 Fe2
• SMILES: [Fe]1234567([As]89[Fe]%10%11%12%13%14%15([As]18[As]3%11[As]29%10)[c]1([c]%12([cH]%13[c]%14([cH]%151)C(C)(C)C)C(C)(C)C)C(C)(C)C)[c]1([cH]4[c]5([c]6([cH]71)C(C)(C)C)C(C)(C)C)C(C)(C)C
• 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: 27.7197 ± 0.0007 Å
• b: 13.8984 ± 0.0003 Å
• c: 19.1919 ± 0.0005 Å
• α: 90°
• β: 90.011 ± 0.002°
• γ: 90°
• Cell volume: 7393.9 ± 0.3 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• 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: 0.038
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0941
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.178
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No