Information card for entry 7027022

Structure parameters

• Formula: C18 H17 Mn N4 O9
• Calculated formula: C18 H17 Mn N4 O9
• SMILES: [Mn]123(Oc4c(C=[N]2CC[N]3=Cc2cc(N(=O)=O)ccc2O1)cc(N(=O)=O)cc4)([OH2])OC(=O)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: 14.014 ± 0.002 Å
• b: 12.086 ± 0.002 Å
• c: 13.37 ± 0.002 Å
• α: 90°
• β: 115.71 ± 0.02°
• γ: 90°
• Cell volume: 2040.3 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1612
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 0.993
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No