Information card for entry 7027021

Structure parameters

• Formula: C21 H23 Mn N2 O4
• Calculated formula: C21 H23 Mn N2 O4
• SMILES: [Mn]1234(Oc5ccccc5C=[N]3CCC[N]4=Cc3ccccc3O1)[O]=C(O2)C(C)C
• Title of publication: Further attempts to rationalise the co-ordination chemistry of manganese with Schiff base ligands and supplementary carboxylate donors
• Authors of publication: Watkinson, Michael; Fondo, Matilde; Bermejo, Manuel R.; Sousa, Antonio; McAuliffe, Charles A.; Pritchard, Robin G.; Jaiboon, Nongnuj; Aurangzeb, Nadeem; Naeem, Mohammed
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1999
• Journal issue: 1
• Pages of publication: 31
• a: 17.844 ± 0.003 Å
• b: 18.881 ± 0.004 Å
• c: 12.337 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4156.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1366
• Residual factor for significantly intense reflections: 0.048
• Weighted residual factors for significantly intense reflections: 0.1226
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No