Information card for entry 4303325

Structure parameters

• Formula: C178.5 H300 Cl6 Mn6 N12 O31.5
• Calculated formula: C178.5 H283.5 Cl6 Mn6 N12 O31.5
• Title of publication: Trinuclear C3-Symmetric Extension of Jacobsen's Catalyst: Synthesis, Characterization, and Catalytic Properties of a Chiral Trinuclear MnIII Triplesalen Complex
• Authors of publication: Chandan Mukherjee; Anja Stammler; Hartmut Bögge; Thorsten Glaser
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 9476 - 9484
• a: 22.4648 ± 0.0002 Å
• b: 22.4648 ± 0.0002 Å
• c: 24.21 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10581.1 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1376
• Weighted residual factors for all reflections included in the refinement: 0.1407
• Goodness-of-fit parameter for all reflections included in the refinement: 1.104
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No