Information card for entry 4503813

Structure parameters

• Formula: C18 H21 Mn N2 O6
• Calculated formula: C18 H21 Mn N2 O6
• SMILES: [Mn]123(Oc4c(cccc4C=[N]1CCN2C(=O)c1c(O3)cccc1)OC)([OH2])[OH]C
• Title of publication: One-Dimensional Mn(III) Coordination Polymer Exhibiting Ferromagnetic Coupling
• Authors of publication: Kou, Hui-Zhong; Wang, Yi-Tong; Luo, Wang-Xi; Xie, Qi-Wei; Tao, Jun; Cui, Ai-Li; Shen, De-Zhong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2008
• Journal volume: 8
• Journal issue: 11
• Pages of publication: 3908
• a: 9.1082 ± 0.0018 Å
• b: 10.184 ± 0.002 Å
• c: 11.642 ± 0.002 Å
• α: 65.43 ± 0.03°
• β: 81.75 ± 0.03°
• γ: 69.72 ± 0.03°
• Cell volume: 921.2 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1448
• Residual factor for significantly intense reflections: 0.0665
• Weighted residual factors for significantly intense reflections: 0.1107
• Weighted residual factors for all reflections included in the refinement: 0.1246
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No