Information card for entry 7015029

Structure parameters

• Formula: C24 H32 Cl2 Mn N8 O8
• Calculated formula: C24 H32 Cl2 Mn N8 O8
• SMILES: [Mn]123([n]4ccccc4C[N]41CC[N]2(Cc1[n]3cccc1)CC4)([N]#CC)([N]#CC)[N]#CC.N#CC.Cl(=O)(=O)(=O)[O-].Cl(=O)(=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: 11.618 ± 0.002 Å
• b: 11.666 ± 0.002 Å
• c: 13.214 ± 0.003 Å
• α: 88.508 ± 0.002°
• β: 71.869 ± 0.002°
• γ: 69.296 ± 0.002°
• Cell volume: 1585 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0728
• Residual factor for significantly intense reflections: 0.0589
• Weighted residual factors for significantly intense reflections: 0.1607
• Weighted residual factors for all reflections included in the refinement: 0.1699
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No