Information card for entry 7040562

Structure parameters

• Formula: C123 H101 Mn8 N27 O25
• Calculated formula: C123 H101 Mn8 N27 O25
• SMILES: [Mn]1234[N](=C5C(=NO3)c3c6c5cccc6ccc3)O[Mn]35([N](=C6C(=NO5)c5c7c6cccc7ccc5)O[Mn]56([N](=C7C(=NO6)c6c8c7cccc8ccc6)O[Mn]67([N](=C8C(=NO7)c7c9c8cccc9ccc7)O[Mn]78([N](=C9C(=NO8)c8c%10c9cccc%10ccc8)O[Mn]89([N](=C%10C(=NO9)c9c%11c%10cccc%11ccc9)O[Mn]9%10([N](=C%11C(=NO%10)c%10c%12c%11cccc%12ccc%10)O[Mn]%10([N](=C%11C(=NO%10)c%10c%12c%11cccc%12ccc%10)O4)([O]19)[O]=CN(C)C)[O]78)[O]=CN(C)C)[O]56)[O]=CN(C)C)[O]23)[O]=CN(C)C.N#CC.N#CC.O=CN(C)C.N#CC.N#CC.N#CC.N#CC
• 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: 16.5792 ± 0.0019 Å
• b: 16.8624 ± 0.0019 Å
• c: 23.487 ± 0.003 Å
• α: 77.38 ± 0.002°
• β: 82.47 ± 0.002°
• γ: 76.586 ± 0.002°
• Cell volume: 6210.3 ± 1.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0847
• Residual factor for significantly intense reflections: 0.0493
• Weighted residual factors for significantly intense reflections: 0.1352
• Weighted residual factors for all reflections included in the refinement: 0.1634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No