Information card for entry 4337145

Structure parameters

• Formula: C74 H104 Mn2 N5 O7
• Calculated formula: C74 H104 Mn2 N5 O7
• SMILES: c12c(C(C)(C)C)cc(cc1C=[N]1[C@H]3[C@H]([N]4=Cc5c(c(C(C)(C)C)cc(c5)C(C)(C)C)O[Mn]5614(O2)O[Mn]1246(O5)[N](=Cc5c(c(cc(c5)C(C)(C)C)C(C)(C)C)O2)[C@H]2[C@H]([N]1=Cc1c(c(cc(c1)C(C)(C)C)C(C)(C)C)O4)CCCC2)CCCC3)C(C)(C)C.N#CC.O
• Title of publication: Di-μ-oxo Dimetal Core of Mn(IV) and Ti(IV) as a Linker Between Two Chiral Salen Complexes Leading to the Stereoselective Formation of Different M- and P-Helical Structures.
• Authors of publication: Kurahashi, Takuya; Hada, Masahiko; Fujii, Hiroshi
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 2
• Pages of publication: 1070 - 1079
• a: 12.276 ± 0.003 Å
• b: 27.657 ± 0.006 Å
• c: 21.046 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7145 ± 3 ų
• Cell temperature: 103 K
• Ambient diffraction temperature: 103 K
• Number of distinct elements: 5
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for all reflections included in the refinement: 0.1071
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No