Information card for entry 4313687

Structure parameters

• Formula: C21 H18 Mn N3 O6
• Calculated formula: C21 H17 Mn N3 O6
• SMILES: [Mn]123(Oc4ccccc4C=[N]2c2ccccc2[N]3=Cc2ccccc2O1)(ON(=O)=O)[OH]C
• Title of publication: Aggregate Manganese Schiff Base Moieties by Terephthalate or Acetate: Dinuclear Manganese and Trinuclear Mixed Metal Mn2/Na Complexes
• Authors of publication: Changneng Chen; Deguang Huang; Xiaofeng Zhang; Feng Chen; Hongping Zhu; Qiutian Liu; Cunxi Zhang; Daizheng Liao; Licun Li; Licheng Sun
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 3540 - 3548
• a: 9.957 ± 0.002 Å
• b: 7.868 ± 0.0016 Å
• c: 25.339 ± 0.005 Å
• α: 90°
• β: 95.53 ± 0.03°
• γ: 90°
• Cell volume: 1975.9 ± 0.7 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 significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1319
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No