Information card for entry 7024268

Structure parameters

• Formula: C21 H23 Mn N2 O5
• Calculated formula: C21 H23 Mn N2 O5
• SMILES: c12ccccc1C=[N]1CC(C[N]3=Cc4c(cccc4)O[Mn]413([O]=C(CCC)O4)O2)O
• Title of publication: Is there really a diagnostically useful relationship between the carbon-oxygen stretching frequencies in metal carboxylate complexes and their coordination mode?
• Authors of publication: Martínez, David; Motevalli, Majid; Watkinson, Michael
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 2
• Pages of publication: 446 - 455
• a: 9.543 ± 0.001 Å
• b: 12.336 ± 0.002 Å
• c: 17.84 ± 0.003 Å
• α: 90°
• β: 97.42 ± 0.02°
• γ: 90°
• Cell volume: 2082.6 ± 0.5 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• 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: 0.0954
• Residual factor for significantly intense reflections: 0.0468
• Weighted residual factors for significantly intense reflections: 0.1026
• Weighted residual factors for all reflections included in the refinement: 0.1126
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No