Information card for entry 4301527

Structure parameters

• Formula: C52 H78 Mn3 N4 O11
• Calculated formula: C52 H76 Mn3 N4 O11
• 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: 10.9271 ± 0.0009 Å
• b: 11.609 ± 0.001 Å
• c: 13.206 ± 0.0011 Å
• α: 65.961 ± 0.001°
• β: 83.092 ± 0.001°
• γ: 63.942 ± 0.001°
• Cell volume: 1370.9 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0551
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No