Information card for entry 7040560

Structure parameters

• Formula: C40 H29 Mn3 N6 O11
• Calculated formula: C40 H29 Mn3 N6 O11
• SMILES: [Mn]1234[O]=C(C)O[Mn]56([O]1[Mn]1(O[N]3=C3C(=NO2)c2c7c3cccc7ccc2)(ON=C2C(=[N]1O6)c1c3c2cccc3ccc1)([OH]C)[OH]C)ON=C1C(=[N]5O4)c2c3c1cccc3ccc2
• Title of publication: Manganese clusters of aromatic oximes: synthesis, structure and magnetic properties.
• Authors of publication: Chen, Zilu; Hu, Zhaobo; Li, Yisheng; Liang, Yuning; Wang, Xinyu; Ouyang, Li; Zhao, Qin; Cheng, Haiyan; Liang, Fupei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 39
• Pages of publication: 15634 - 15643
• a: 10.8393 ± 0.0015 Å
• b: 18.418 ± 0.003 Å
• c: 18.329 ± 0.003 Å
• α: 90°
• β: 92.871 ± 0.002°
• γ: 90°
• Cell volume: 3654.6 ± 1 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0467
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No