Information card for entry 4332799

Structure parameters

• Formula: C45 H54 Fe N8 O17 S2
• Calculated formula: C45 H54 Fe N8 O17 S2
• Title of publication: Inorganic Asymmetric Synthesis: Asymmetric Synthesis of a Two-Bladed Propeller, Octahedral Metal Complex
• Authors of publication: Warr, Rebecca J.; Willis, Anthony C.; Wild, S. Bruce
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8618 - 8627
• a: 9.1842 ± 0.0001 Å
• b: 19.8044 ± 0.0003 Å
• c: 14.2977 ± 0.0002 Å
• α: 90°
• β: 101.851 ± 0.001°
• γ: 90°
• Cell volume: 2545.14 ± 0.06 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0458
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0401
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No