Information card for entry 4316658

Structure parameters

• Formula: C31 H49 Br2 F6 Fe N4 O0.5 P
• Calculated formula: C31 H49 Br2 Fe N4 O0.5
• Title of publication: Synthesis and Stabilization of a Monomeric Iron(II) Hydroxo Complex via Intramolecular Hydrogen Bonding in the Secondary Coordination Sphere
• Authors of publication: Alexander J. Kendall; Lev N. Zakharov; John D. Gilbertson
• Journal of publication: Inorganic Chemistry
• Year of publication: 2010
• Journal volume: 49
• Pages of publication: 8656 - 8658
• a: 46.903 ± 0.006 Å
• b: 10.1167 ± 0.0013 Å
• c: 15.678 ± 0.002 Å
• α: 90°
• β: 100.742 ± 0.002°
• γ: 90°
• Cell volume: 7308.9 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0635
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0948
• Weighted residual factors for all reflections included in the refinement: 0.1018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No