Information card for entry 7002909

Structure parameters

• Formula: C64 H84 Mn4 N16 O24 S4
• Calculated formula: C64 H84 Mn4 N16 O24 S4
• Title of publication: Synthesis, structures and magnetic properties of polynuclear mixed-valence MnIIMnIII complexes containing 3-(2-phenol)-5-(pyridin-2-yl)-1,2,4-triazole ligand
• Authors of publication: Liu, Hui; Tian, Jinlei; Kou, Yingying; Zhang, Jingyan; Feng, Li; Li, Dongdong; Gu, Wen; Liu, Xin; Liao, Daizheng; Cheng, Peng; Ribas, Joan; Yan, Shiping
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 47
• Pages of publication: 10511 - 10517
• a: 19.76 ± 0.003 Å
• b: 16.999 ± 0.003 Å
• c: 11.6453 ± 0.0018 Å
• α: 90°
• β: 93.914 ± 0.002°
• γ: 90°
• Cell volume: 3902.5 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.06
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0926
• Weighted residual factors for all reflections included in the refinement: 0.106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No