Information card for entry 7215674

Structure parameters

• Formula: C104 H458 Cl29 Dy25 Mn2 O364
• Calculated formula: C96 H158 Cl5 Dy25 Mn2 O184
• SMILES: [C@@H]1(O)[C@@H]2[C@H]3[C@@H]4[C@@H]5[C@H]1[OH][Dy]1678([OH2])([OH2])[O]5[Dy]59%10%11%12([OH2])[O]4%13[Dy]4%14%15%16%17([OH2])[O]3[Dy]3%18%19([OH2])([OH]2)(OC(=[O]%15)C)[O]2[C@@H]%15[C@H]([OH]3)[C@H]3[C@@H]%20[O]%21[Dy]%22([OH]3)([OH2])([OH2])([OH2])([OH2])[OH][C@H]3[C@H]%23[O]%22[Dy]%22%21([OH2])([OH2])([OH2])[OH][C@@H]%20[C@H]%15[OH][Dy]2%15([OH]4%18)([O]=C(C)O%19)([OH2])([OH2])[OH][C@H]2[C@H](O)[C@@H]4[C@H]%18[C@H]([C@H]2[O]%16%15)[O]2%17[Mn]%13([OH2])([OH2])([OH2])[O]%139[C@@H]9[C@@H]%15[C@H]%16[C@@H](O)[C@H]%17[C@@H]9[O]9[Dy]2%19%20%13([OH2])([OH]5%14)[O]%18[Dy]25%13([OH2])([OH]4)(OC(=[O]%20)C)[O]4[C@@H]%14[C@@H]([OH]2)[C@H]2[C@@H]%18[O]%20[Dy]%21([OH2])([OH2])([OH2])([OH2])([OH]2)[OH][C@H]2[C@H]%24[O]%21[Dy]%20([OH2])([OH2])([OH2])([OH][C@@H]%18[C@H]%14[OH][Dy]49([OH]%17)([OH]5%19)([O]=C(C)O%13)([OH2])[OH2])[OH][C@H]%24[C@@H]4[OH][Dy]59%13%14([OH2])([OH2])[O]%17[C@H]4[C@@H]2[OH][Dy]24%18%17([OH2])([O]=C(C)O5)[O]5[C@@H]%17[C@@H]([OH]2)[C@H](O)[C@@H]2[C@@H]%19[C@H]%17[O]%17%20[Dy]%21%24%25%26%27([OH2])[O]%19[Dy]%19%28%29([OH2])([OH2])([OH]2)[OH][C@@H]([C@@H]%23[OH]%22)[C@@H]2[C@@H]3[OH][Dy]3([OH2])([O]2%19)([OH]%25%28)([O]=C(C)O%27)(OC(C)=[O]%29)[O]%24[C@@H]2[C@@H]([OH]3)[C@H](O)[C@@H]3[C@@H]%19[C@H]2[O]2%21[Dy]%21%22%23%24%25([OH2])[O]%19[Dy]%19%27%28([OH2])([OH2])([OH]3)[OH][C@@H]3[C@@H]%29[C@@H]([C@@H]%30[C@H]%31[O]%32[Dy]%33([OH2])([OH2])([OH2])([OH2])([OH]%30)[OH][C@@H]%30[C@@H]%34[O]%33[Dy]%32([OH2])([OH2])([OH2])([OH][C@@H]3%31)[OH][C@@H]%34[C@@H]([OH]1)[C@H]1[C@H]%30[OH][Dy]([O]61)([O]%10%15)([OH]%16)([OH]7%11)(OC(=[O]%12)C)([O]=C(O8)C)[OH2])[OH][Dy]1([OH2])([O]%27%29)([OH]%23%28)([O]=C(C)O%25)(OC(C)=[O]%19)[O]%22[C@@H]3[C@@H]([OH]1)[C@H](O)[C@@H]([OH]9)[C@@H]1[C@H]3[O]%21([Mn]2%20([OH2])([OH2])[OH2])[Dy]5%17([O]1%13)([OH]%14%18)([OH]%26%24)(OC(=[O]4)C)[OH2].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-].[Dy]([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])([OH2])[OH2].[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.Cl(=O)(=O)(=O)[O-]
• Title of publication: Myo-inositol supported heterometallic Dy24M2 (M = Ni, Mn) cages
• Authors of publication: Liu, Da-Peng; Peng, Jun-Bo; Lin, Xin-Ping; Huang, Que; Kong, Xiang-Jian; Long, La-Sheng; Huang, Rong-Bin; Zheng, Lan-Sun
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 25
• Pages of publication: 5527
• a: 25.525 ± 0.0011 Å
• b: 25.525 ± 0.0011 Å
• c: 34.3906 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 19404.5 ± 1.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.2094
• Residual factor for significantly intense reflections: 0.0877
• Weighted residual factors for significantly intense reflections: 0.1767
• Weighted residual factors for all reflections included in the refinement: 0.2193
• Goodness-of-fit parameter for all reflections included in the refinement: 0.82
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No