Information card for entry 7112394

Structure parameters

• Formula: C18.5 H30 Cl F6 Mn N8 O0.5 P
• Calculated formula: C18.5 H30 Cl F6 Mn N8 O0.5 P
• Title of publication: Electrochemical formation of Mn(III)-peroxo complexes supported by pentadentate amino pyridine and imidazole ligands.
• Authors of publication: El Ghachtouli, Sanae; Ching, H. Y. Vincent; Lassalle-Kaiser, Benedikt; Guillot, Régis; Leto, Domenick F.; Chattopadhyay, Swarup; Jackson, Timothy A.; Dorlet, Pierre; Anxolabéhère-Mallart, Elodie
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2013
• Journal volume: 49
• Journal issue: 50
• Pages of publication: 5696 - 5698
• a: 9.5092 ± 0.0012 Å
• b: 10.8499 ± 0.0013 Å
• c: 14.27 ± 0.003 Å
• α: 97.998 ± 0.003°
• β: 98.664 ± 0.003°
• γ: 115.391 ± 0.002°
• Cell volume: 1280.2 ± 0.4 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0486
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No