Information card for entry 7015999

Structure parameters

• Formula: C25 H27 Cl Mn N3 O10
• Calculated formula: C25 H27 Cl Mn N3 O10
• SMILES: [Mn]123(Oc4c(C=[N]2c2c([N]3=Cc3c(O1)c(OC)ccc3)cccc2)cccc4OC)([OH2])[O]=CN(C)C.Cl(=O)(=O)(=O)[O-]
• Title of publication: Control of molecular architecture by steric factors: mononuclear vs polynuclear manganese(iii) compounds with tetradentate N(2)O(2) donor Schiff bases.
• Authors of publication: Bhowmik, Prasanta; Nayek, Hari Pada; Corbella, Montserrat; Aliaga-Alcalde, Núria; Chattopadhyay, Shouvik
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 31
• Pages of publication: 7916 - 7926
• a: 11.143 ± 0.0002 Å
• b: 16.3594 ± 0.0003 Å
• c: 15.4001 ± 0.0003 Å
• α: 90°
• β: 108.417 ± 0.001°
• γ: 90°
• Cell volume: 2663.54 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.074
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.1478
• Weighted residual factors for all reflections included in the refinement: 0.1673
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No