Information card for entry 4306005

Structure parameters

• Formula: C96 H88 Cl4 Fe2 N16 O8
• Calculated formula: C96 H88 Cl4 Fe2 N16 O8
• 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: 33.7536 ± 0.0006 Å
• b: 15.3817 ± 0.0003 Å
• c: 18.0814 ± 0.0003 Å
• α: 90°
• β: 111.607 ± 0.0011°
• γ: 90°
• Cell volume: 8728 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• 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: 0.0595
• Residual factor for significantly intense reflections: 0.0368
• Weighted residual factors for all reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.0435
• Weighted residual factors for all reflections included in the refinement: 0.0435
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No