Information card for entry 7002904

Structure parameters

• Formula: C30 H32 Mn2 N9 O8
• Calculated formula: C30 H32 Mn2 N9 O8
• SMILES: [Mn]123([n]4[n]5[Mn]6([OH]C)([n]7ccccc7c5nc4c4ccccc4O1)([n]1ccccc1c1nc(c4ccccc4O2)[n]3[n]61)N=C=O)([OH]C)[OH]C.O.O
• 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: 14.973 ± 0.011 Å
• b: 13.324 ± 0.013 Å
• c: 17.853 ± 0.013 Å
• α: 90°
• β: 114.113 ± 0.008°
• γ: 90°
• Cell volume: 3251 ± 5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.1147
• Residual factor for significantly intense reflections: 0.07
• Weighted residual factors for significantly intense reflections: 0.1542
• Weighted residual factors for all reflections included in the refinement: 0.1864
• Goodness-of-fit parameter for all reflections included in the refinement: 0.837
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No