Information card for entry 4313685

Structure parameters

• Formula: C41 H44 Mn2 N4 O13
• Calculated formula: C41 H44 Mn2 N4 O13
• SMILES: [Mn]123([OH2])(Oc4c(C=[N]2CC[N]3=Cc2c(O1)cccc2)cccc4)OC(=O)c1ccc(cc1)C(=O)O[Mn]123(Oc4c(C=[N]2CC[N]3=Cc2c(O1)cccc2)cccc4)[OH]C.O.O.O
• 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: 7.5982 ± 0.0001 Å
• b: 12.3969 ± 0.0003 Å
• c: 20.9815 ± 0.0005 Å
• α: 90°
• β: 90.34 ± 0.02°
• γ: 90°
• Cell volume: 1976.3 ± 0.07 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1369
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No