Information card for entry 4501912

Structure parameters

• Formula: C36 H37 Mn3 N8 O17
• Calculated formula: C36 H37 Mn3 N8 O17
• SMILES: [Mn]123([N](=C4C(=NO2)C(=O)c2ccccc42)O[Mn]245([O]1[Mn]1([N](=C6C(=NO1)C(=O)c7ccccc67)O3)(O[N]2=C1C(=NO5)C(=O)c2ccccc12)([O]=C(C)O4)[O]=CN(C)C)[OH2])([O]=CN(C)C)[OH]C.O
• Title of publication: Construction of Planar Clusters Using Planar Aromatic Polyoxime Ligands: Synthesis, Structure, and Magnetic Properties
• Authors of publication: Chen, Zilu; Jia, Maomao; Zhang, Zhong; Liang, Fupei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2010
• Journal volume: 10
• Journal issue: 11
• Pages of publication: 4806
• a: 16.3831 ± 0.001 Å
• b: 17.8693 ± 0.0011 Å
• c: 13.7435 ± 0.0009 Å
• α: 90°
• β: 95.649 ± 0.001°
• γ: 90°
• Cell volume: 4003.9 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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 all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1348
• Goodness-of-fit parameter for all reflections included in the refinement: 1.06
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No