Information card for entry 4104944

Structure parameters

• Formula: C22 H24 Mn N8 O2
• Calculated formula: C22 H24 Mn N8 O2
• SMILES: [Mn]123(Oc4ccc(cc4C=[N]2[C@H]2[C@H]([N]3=Cc3c(O1)ccc(c3)C)CCCC2)C)(N=N#N)N=N#N
• 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: 8.5312 ± 0.0004 Å
• b: 13.4133 ± 0.0007 Å
• c: 19.9001 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2277.2 ± 0.2 ų
• Cell temperature: 93.1 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for all reflections included in the refinement: 0.0946
• Goodness-of-fit parameter for all reflections included in the refinement: 1.095
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No