Information card for entry 4313684

Structure parameters

• Formula: C42 H48 Mn2 N4 O14
• Calculated formula: C42 H44 Mn2 N4 O14
• SMILES: C[OH][Mn]123([N](=Cc4c(O1)cccc4)CC[N]3=Cc1c(O2)cccc1)OC(=O)c1ccc(C(=O)O[Mn]234([N](=Cc5c(O3)cccc5)CC[N]2=Cc2ccccc2O4)[OH]C)cc1.O.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 ± 0.0005 Å
• b: 12.5587 ± 0.0009 Å
• c: 22.5905 ± 0.0016 Å
• α: 90°
• β: 95.519 ± 0.001°
• γ: 90°
• Cell volume: 2145.7 ± 0.3 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: 0.0592
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1805
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No