Information card for entry 4306004

Structure parameters

• Formula: C125.65 H138.6 Fe2 N16 O27.65 S4
• Calculated formula: C125.65 H108 Fe2 N16 O27.65 S4
• Title of publication: Inorganic Asymmetric Synthesis: Diastereoselective Syntheses of Mono- and Dinuclear Complexes Containing Octahedral, Two-Bladed Propeller, Bis(pyridine-2-aldehyde 2'-pyridylhydrazone)iron(II) Stereocenters
• Authors of publication: Rebecca J. Warr; Anthony C. Willis; S. Bruce Wild
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 9351 - 9362
• a: 16.8888 ± 0.0003 Å
• b: 18.8087 ± 0.0003 Å
• c: 20.6913 ± 0.0003 Å
• α: 94.4353 ± 0.0011°
• β: 94.9183 ± 0.001°
• γ: 105.36 ± 0.0009°
• Cell volume: 6280.29 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1403
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for all reflections: 0.1266
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.103
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No