Information card for entry 4104943

Structure parameters

• Formula: C38 H56 Cl6 Mn N2 O2
• Calculated formula: C38 H56 Cl6 Mn N2 O2
• SMILES: [Mn]123(Cl)(Cl)Oc4c(cc(cc4C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)c(cc(c3)C(C)(C)C)C(C)(C)C)CCCC2)C(C)(C)C)C(C)(C)C.ClCCl.ClCCl
• Title of publication: Critical Role of External Axial Ligands in Chirality Amplification of trans-Cyclohexane-1,2-diamine in Salen Complexes
• Authors of publication: Takuya Kurahashi; Masahiko Hada; Hiroshi Fujii
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2009
• Journal volume: 131
• Pages of publication: 12394 - 12405
• a: 12.628 ± 0.004 Å
• b: 12.917 ± 0.005 Å
• c: 14.498 ± 0.006 Å
• α: 82.04 ± 0.03°
• β: 73.07 ± 0.02°
• γ: 65.24 ± 0.02°
• Cell volume: 2054 ± 1.4 ų
• Cell temperature: 93 K
• Number of distinct elements: 6
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for all reflections included in the refinement: 0.2474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No