Information card for entry 4301528

Structure parameters

• Formula: C29 H46 Mn N2 O6
• Calculated formula: C29 H46 Mn N2 O6
• SMILES: [Mn]123(Oc4c(C[N]2(C)CC[N]3(Cc2c(O1)c(cc(c2)C)C)C)cc(cc4C)C)([OH]C)OC(=O)C(C)(C)C.CO
• Title of publication: Tetra-, Tri-, and Mononuclear Manganese(II/III) Complexes of a Phenol-Based N2O2 Capping Ligand: Use of Carboxylates as Ancillary Ligands in Tuning the Nuclearity of the Complexes
• Authors of publication: Debdas Mandal; Pabitra Baran Chatterjee; Shubhajit Bhattacharya; Ki-Young Choi; Rodolphe Clérac; Muktimoy Chaudhury
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 1826 - 1835
• a: 16.274 ± 0.003 Å
• b: 12.502 ± 0.002 Å
• c: 14.354 ± 0.003 Å
• α: 90°
• β: 95.244 ± 0.005°
• γ: 90°
• Cell volume: 2908.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.079
• Residual factor for significantly intense reflections: 0.0617
• Weighted residual factors for significantly intense reflections: 0.1371
• Weighted residual factors for all reflections included in the refinement: 0.1474
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No