Information card for entry 7019839

Structure parameters

• Formula: C75 H114 Co4 Gd N6 O40
• Calculated formula: C75 H100 Co4 Gd N6 O40
• SMILES: c12c(cccc1OC)C=[N]1C3(CO)C[OH][Gd]456789[O]%10[Co]%11%12%13([N](=Cc%14c(c(ccc%14)OC)O%13)C(CO)(C[O]4[Co]4%13%14([O]%15[Co]%16%17%18([N](=Cc%19c(c(ccc%19)OC)O%18)C(CO)(C[OH]%14)C%15)[N](=Cc%14cccc(c%14O%17)OC)C(C[OH]%13)(C[O]4%16)CO)[O]7CC4(CO)C[O]8[Co]71([N]4=Cc1cccc(c1O7)OC)(O2)[O]6C3)C[O]5%11)[N](=Cc1c(c(ccc1)OC)O%12)C(CO)(C%10)C[OH]9.CO.CO.CO.O.O.O.O.O.O.O
• Title of publication: Polydentate-ligand-supported self-assembly of heterometallic T-shaped Co(4)RE (RE = Gd, Tb, Y) clusters: synthesis, structure and magnetism.
• Authors of publication: Ke, Hongshan; Zhao, Lang; Guo, Yang; Tang, Jinkui
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 32
• Pages of publication: 9760 - 9765
• a: 11.077 ± 0.0008 Å
• b: 28.4311 ± 0.0019 Å
• c: 29.5256 ± 0.0017 Å
• α: 90°
• β: 110.629 ± 0.002°
• γ: 90°
• Cell volume: 8702.3 ± 1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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 all reflections: 0.0607
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1074
• Weighted residual factors for all reflections included in the refinement: 0.1191
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No