Information card for entry 7109496

Structure parameters

• Formula: C98.96 H77.93 B2 Cl1.93 F6.22 Fe2 N12 O4 P1.04
• Calculated formula: C98.964 H77.928 B2 Cl1.928 F6.216 Fe2 N12 O4 P1.036
• Title of publication: Preparation of a semiquinonate-bridged diiron(II) complex and elucidation of its geometric and electronic structures
• Authors of publication: Amanda E. Baum; Sergey V. Lindeman; Adam T. Fiedler
• Journal of publication: Chem.Commun.
• Year of publication: 2013
• Journal volume: 49
• Pages of publication: 6531
• a: 9.7382 ± 0.0003 Å
• b: 13.253 ± 0.0004 Å
• c: 18.0619 ± 0.0007 Å
• α: 103.453 ± 0.003°
• β: 104.559 ± 0.003°
• γ: 97.098 ± 0.003°
• Cell volume: 2152.89 ± 0.14 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0407
• Residual factor for significantly intense reflections: 0.0393
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1038
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No