Information card for entry 4021920

Structure parameters

• Formula: C36 H34 Mn3 N4 O12
• Calculated formula: C36 H34 Mn3.004 N4 O12
• Title of publication: Trimanganese Complexes Bearing Bidentate Nitrogen Ligands as a Highly Efficient Catalyst Precursor in the Epoxidation of Alkenes
• Authors of publication: Byungman Kang; Min Kim; Junseong Lee; Youngkyu Do; Sukbok Chang
• Journal of publication: Journal of Organic Chemistry
• Year of publication: 2006
• Journal volume: 71
• Pages of publication: 6721 - 6727
• a: 11.4098 ± 0.0014 Å
• b: 12.4332 ± 0.0014 Å
• c: 26.421 ± 0.003 Å
• α: 90°
• β: 98.624 ± 0.003°
• γ: 90°
• Cell volume: 3705.7 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1039
• Residual factor for significantly intense reflections: 0.0785
• Weighted residual factors for significantly intense reflections: 0.2114
• Weighted residual factors for all reflections included in the refinement: 0.231
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No