Information card for entry 7036990

Structure parameters

• Formula: C37 H56 Cl Mn N2 O4
• Calculated formula: C37 H56 Cl Mn N2 O4
• SMILES: [Mn]123(Cl)(Oc4c(cc(cc4C[N]2(Cc2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)Cc1[n]3cccc1)C(C)(C)C)C(C)(C)C)[OH]C.O
• Title of publication: Exploring the reactivity of manganese(iii) complexes with diphenolate-diamino ligands in rac-lactide polymerization.
• Authors of publication: Daneshmand, Pargol; Schaper, Frank
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 47
• Pages of publication: 20449 - 20458
• a: 15.2595 ± 0.0008 Å
• b: 15.959 ± 0.0009 Å
• c: 15.8429 ± 0.0009 Å
• α: 90°
• β: 106.365 ± 0.004°
• γ: 90°
• Cell volume: 3701.9 ± 0.4 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1884
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2611
• Weighted residual factors for all reflections included in the refinement: 0.3137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.34139 Å
• Diffraction radiation type: GaKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No