Information card for entry 4322501

Structure parameters

• Formula: C72 H68 Fe Na3 O10
• Calculated formula: C72 H66 Fe Na3 O10
• SMILES: [Fe]12345[O]6[Na]([O]1c1c(c7c(cc1)cccc7)c1c([O]2[Na]([O]4c2c(c4c([O]3[Na]([O]5c3c(c5c6ccc6c5cccc6)c5c(cc3)cccc5)[O](CC)CC)ccc3c4cccc3)c3c(cc2)cccc3)([O](CC)CC)[O])ccc2c1cccc2)[O](CC)CC
• Title of publication: Syntheses, Crystal Structures, and CD Spectra of Simple Heterobimetallic Transition Metal Binaphtholates
• Authors of publication: Ronald J. Cross; Louis J. Farrugia; Duncan R. McArthur; Robert D. Peacock; Douglas S. C. Taylor
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 5698 - 5702
• a: 11.3256 ± 0.001 Å
• b: 20.735 ± 0.003 Å
• c: 13.5741 ± 0.0015 Å
• α: 90°
• β: 91.086 ± 0.008°
• γ: 90°
• Cell volume: 3187.1 ± 0.6 ų
• Cell temperature: 291 ± 2 K
• Ambient diffraction temperature: 291 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1007
• Residual factor for significantly intense reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.1095
• Weighted residual factors for all reflections included in the refinement: 0.1243
• Goodness-of-fit parameter for all reflections included in the refinement: 0.942
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No