Information card for entry 7027016

Structure parameters

• Formula: C25 H31 Cl2 Mn N2 O6
• Calculated formula: C25 H31 Cl2 Mn N2 O6
• SMILES: [Mn]1234([N](=Cc5c(O2)c(OC)ccc5)CCC[N]1=Cc1cccc(OC)c1O3)[O]=C(O4)C(C)(C)C.C(Cl)Cl
• 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: 13.034 ± 0.003 Å
• b: 12.111 ± 0.004 Å
• c: 18.446 ± 0.005 Å
• α: 90°
• β: 102.76 ± 0.01°
• γ: 90°
• Cell volume: 2839.9 ± 1.4 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0936
• Residual factor for significantly intense reflections: 0.0748
• Weighted residual factors for all reflections: 0.2287
• Weighted residual factors for significantly intense reflections: 0.2098
• Goodness-of-fit parameter for all reflections: 1.065
• Goodness-of-fit parameter for significantly intense reflections: 1.109
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No