Information card for entry 7152431

Structure parameters

• Formula: C40 H62 Cl2 Fe2 N2 O4
• Calculated formula: C40 H62 Cl2 Fe2 N2 O4
• SMILES: c12c(cc(cc1C=[N]1[C@@H](C(C)C)C[O]3[Fe]1(Cl)(O2)[O]1C[C@H](C(C)C)[N]2=Cc4c(c(cc(c4)C(C)(C)C)C(C)(C)C)O[Fe]312Cl)C(C)(C)C)C(C)(C)C
• Title of publication: Synthesis of an unusual dinuclear chiral iron complex and its application in asymmetric hydrophosphorylation of aldehydes.
• Authors of publication: Muthupandi, Pandi; Sekar, Govindasamy
• Journal of publication: Organic & biomolecular chemistry
• Year of publication: 2012
• Journal volume: 10
• Journal issue: 28
• Pages of publication: 5347 - 5352
• a: 9.4738 ± 0.0006 Å
• b: 17.4767 ± 0.0012 Å
• c: 26.9117 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4455.8 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0577
• Residual factor for significantly intense reflections: 0.037
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No