Information card for entry 7106427

Structure parameters

• Common name: [Mn(pytren-2Q)](ClO4)2
• Formula: C23 H32 Cl2 Mn N6 O9
• Calculated formula: C23 H32 Cl2 Mn N6 O9
• SMILES: [Mn]12345[n]6c7C[NH]3CC[N]2(CC[NH]1Cc6ccc7)CC[NH]4Cc1[n]5c2c(cc1)cccc2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].O
• Title of publication: Manganese(II) complexes of scorpiand-like azamacrocycles as MnSOD mimics
• Authors of publication: Garcia-Espana, Enrique; Clares, Ma Paz; Blasco, Salvador; Inclan, Mario; Verdejo, Begona; del Castillo, Lucas; Soriano, Conxa; Domenech, Antonio; Latorre, Julio
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 5988
• a: 9.329 ± 0.003 Å
• b: 17.568 ± 0.005 Å
• c: 18.335 ± 0.005 Å
• α: 90°
• β: 105.68 ± 0.016°
• γ: 90°
• Cell volume: 2893.1 ± 1.5 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.2763
• Residual factor for significantly intense reflections: 0.1139
• Weighted residual factors for significantly intense reflections: 0.3114
• Weighted residual factors for all reflections included in the refinement: 0.4127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No