Information card for entry 4322600

Structure parameters

• Formula: C112 H98 B4 F8 Fe2 N14 O14 Ru
• Calculated formula: C112 H98 B4 F8 Fe2 N14 O14 Ru
• Title of publication: Heterotrinuclear Oxo-Bridged FeIIIORuIVOFeIII Complexes of Ruthenium Porphyrin and Borylated Low-Spin Iron Dioximes1
• Authors of publication: Isak Vernik; Dennis V. Stynes
• Journal of publication: Inorganic Chemistry
• Year of publication: 1998
• Journal volume: 37
• Pages of publication: 10 - 17
• a: 16.845 ± 0.0001 Å
• b: 27.1837 ± 0.0002 Å
• c: 24.9525 ± 0.0001 Å
• α: 90°
• β: 90.408 ± 0.001°
• γ: 90°
• Cell volume: 11425.7 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.322
• Residual factor for significantly intense reflections: 0.1209
• Weighted residual factors for all reflections: 0.5667
• Weighted residual factors for significantly intense reflections: 0.2937
• Goodness-of-fit parameter for all reflections: 1.265
• Goodness-of-fit parameter for significantly intense reflections: 1.372
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No