Information card for entry 7050271

Structure parameters

• Formula: C30 H26 Mn N2 O4
• Calculated formula: C30 H26 Mn N2 O4
• Title of publication: First structurally characterized optically active mononuclear Mn(iv) complex: synthesis, crystal structure and properties of [MnivL2] {H2L?=?S-(?)-2-[(2-hydroxy-1-phenylethylimino)methyl]phenol}Electronic supplementary information (ESI) available: GC analysis of the styrene epoxidation; 1H NMR spectrum of (E)-stilbene oxide produced by the epoxidation of (E)-stilbene. See http://www.rsc.org/suppdata/nj/b3/b315658c/
• Authors of publication: Pradeep, Chullikkattil P.; Htwe, Tin; Zacharias, Panthapally S.; Das, Samar K.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2004
• Journal volume: 28
• Journal issue: 6
• Pages of publication: 735
• a: 23.052 ± 0.007 Å
• b: 8.9826 ± 0.0008 Å
• c: 12.684 ± 0.003 Å
• α: 90°
• β: 107.504 ± 0.012°
• γ: 90°
• Cell volume: 2504.8 ± 1 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0253
• Residual factor for significantly intense reflections: 0.0236
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.0633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No