Information card for entry 7024267

Structure parameters

• Formula: C22 H25 Mn N2 O4
• Calculated formula: C22 H25 Mn N2 O4
• SMILES: c12ccccc1C=[N]1CCC[N]3=Cc4c(cccc4)O[Mn]413([O]=C(CCCC)O4)O2
• 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: 18.843 ± 0.008 Å
• b: 11.738 ± 0.006 Å
• c: 20.626 ± 0.008 Å
• α: 90°
• β: 114.16 ± 0.07°
• γ: 90°
• Cell volume: 4162 ± 4 ų
• Cell temperature: 160 ± 2 K
• Ambient diffraction temperature: 160 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No