Information card for entry 7015033

Structure parameters

• Formula: C18 H24 Cl2 Mn N4 O8
• Calculated formula: C18 H24 Cl2 Mn N4 O8
• SMILES: [Mn]123([n]4ccccc4C[N]41CCC[N]2(Cc1[n]3cccc1)CCC4)(OCl(=O)(=O)=O)OCl(=O)(=O)=O
• Title of publication: Nucleophilic reactivity of a series of peroxomanganese(iii) complexes supported by tetradentate aminopyridyl ligands.
• Authors of publication: Geiger, Robert A.; Chattopadhyay, Swarup; Day, Victor W.; Jackson, Timothy A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 1707 - 1715
• a: 14.7305 ± 0.0017 Å
• b: 17.692 ± 0.002 Å
• c: 8.7518 ± 0.001 Å
• α: 90°
• β: 95.547 ± 0.001°
• γ: 90°
• Cell volume: 2270.1 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0434
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0919
• Weighted residual factors for all reflections included in the refinement: 0.0948
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No