Information card for entry 7104283

Structure parameters

• Formula: C24 H36 Cl2 Fe N4 O10
• Calculated formula: C24 H36 Cl2 Fe N4 O10
• SMILES: [Fe]1234([n]5ccccc5C=[N]1[C@H](C[OH]2)C(C)(C)C)[n]1ccccc1C=[N]3[C@H](C[OH]4)C(C)(C)C.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Self-assembling optically pure Fe(A-B)3 chelates.
• Authors of publication: Howson, Suzanne E; Allan, Laura E N; Chmel, Nikola P; Clarkson, Guy J; van Gorkum, Remy; Scott, Peter
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 34
• Journal issue: 13
• Pages of publication: 1727 - 1729
• a: 9.5751 ± 0.0002 Å
• b: 15.1762 ± 0.0003 Å
• c: 10.7704 ± 0.0002 Å
• α: 90°
• β: 110.529 ± 0.001°
• γ: 90°
• Cell volume: 1465.69 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.0276
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0654
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No