Information card for entry 7020873

Structure parameters

• Formula: C62 H118 Mn4 N2 O28 Sm2
• Calculated formula: C62 H114 Mn4 N2 O28 Sm2
• SMILES: C1C[OH][Sm]234567([N]1(CC[O]2[Mn]1289[O]6CC6(C[O]%10[Mn]%11%12%13%14[O]%15CC[N]%16%17CC[OH][Sm]%18%19%20%15%17(OCC%16)(OC(=O)C(C)(C)C)[O]=C([O]%18[Mn]([O]1CC(C[O]%11%19)(C[O]8%13[Mn]%10([O]5C(=[O]4)C(C)(C)C)([O]=C(C(C)(C)C)O%14)OC(C(C)(C)C)=[O]7)C)([O]2%12C6)([O]=C(C(C)(C)C)O9)OC(C(C)(C)C)=[O]%20)C(C)(C)C)C)CC[OH]3)OC(=O)C(C)(C)C
• Title of publication: Syntheses, structures and magnetic properties of a family of heterometallic [Mn(II)(2)Mn(III)(2)Ln(III)(2)] clusters.
• Authors of publication: Liu, Jinying; Ma, Chengbing; Chen, Hui; Hu, Mingqiang; Wen, Huimin; Cui, Honghua; Song, Xiaowei; Chen, Changneng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 7
• Pages of publication: 2423 - 2430
• a: 17.366 ± 0.005 Å
• b: 11.098 ± 0.003 Å
• c: 22.218 ± 0.007 Å
• α: 90°
• β: 112.978 ± 0.004°
• γ: 90°
• Cell volume: 3942 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for significantly intense reflections: 0.0467
• Weighted residual factors for significantly intense reflections: 0.131
• Weighted residual factors for all reflections included in the refinement: 0.1376
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No