Information card for entry 7024355

Structure parameters

• Formula: C22 H10 Cl7 Mn N2 O4
• Calculated formula: C22 H10 Cl7 Mn N2 O4
• SMILES: [Mn]12(Cl)(Oc3c(c(c(c(c3O1)Cl)[n+]1ccccc1)Cl)Cl)Oc1c(c(c(c(c1O2)Cl)[n+]1ccccc1)Cl)Cl
• Title of publication: Unexpected formation of a novel pyridinium-containing catecholate ligand and its manganese(III) complex.
• Authors of publication: Sheriff, Tippu S.; Watkinson, Michael; Motevalli, Majid; Lesin, Jocelyne F.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 53 - 55
• a: 12.686 ± 0.019 Å
• b: 13.64 ± 0.02 Å
• c: 14.48 ± 0.02 Å
• α: 90°
• β: 90.016 ± 0.014°
• γ: 90°
• Cell volume: 2506 ± 6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1954
• Residual factor for significantly intense reflections: 0.1138
• Weighted residual factors for significantly intense reflections: 0.2745
• Weighted residual factors for all reflections included in the refinement: 0.3322
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.6775 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No