Information card for entry 7006314

Structure parameters

• Formula: C36 H48 F6 Mn N4 O6 S2
• Calculated formula: C36 H48 F6 Mn N4 O6 S2
• Title of publication: Chiral manganese complexes with pinene appended tetradentate ligands as stereoselective epoxidation catalysts.
• Authors of publication: Gómez, Laura; Garcia-Bosch, Isaac; Company, Anna; Sala, Xavier; Fontrodona, Xavier; Ribas, Xavi; Costas, Miquel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 47
• Pages of publication: 5539 - 5545
• a: 13.6695 ± 0.0014 Å
• b: 16.645 ± 0.0017 Å
• c: 17.5462 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3992.3 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0673
• Residual factor for significantly intense reflections: 0.0525
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1415
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No