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Information card for entry 7019786
Preview
Coordinates | 7019786.cif |
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Original paper (by DOI) | HTML |
Formula | C21 H86 Lu3 N3 Na O90.5 Si W12 |
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Calculated formula | C21 H9 Lu3 N3 Na O90.5 Si W12 |
SMILES | C12=[O][Lu]345([O]=[W]6789O[W]%10%11%12%13=[O][Lu]%14%15([n]%16c1cccc%16C(O%14)=O)([O]=C1c%14cccc%16C(O[Lu]%17([n]%14%16)([O]=[W]%14%16(O%10)(O8)O[W]8%10%18(O[W]%19%20(O%12)(O[W]%12%21(O%11)(O[W]%11%22(O6)(O[W]6%23([O]7%22[Si]7([O]%22%24[W]%25(O%11)(=O)(O[W]%24(O%23)(O[W](O%14)(O6)(O%10)(=O)[O]%16%187)(=O)O[W]%22(O8)(O%19)(=O)O%25)O%12)[O]%13%20%21)(O9)=O)=O)=O)=O)=O)([O]=C(c6cccc(C(O4)=O)[n]36)[O]5[Na]([OH2])([OH2])([OH2])([O]2%15)[O]1%17)([OH2])([OH2])[OH2])=O)([OH2])([OH2])[OH2])([OH2])([OH2])[OH2].O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O.O |
Title of publication | Keggin polyoxoanion supported organic-inorganic trinuclear lutetium cluster, {Na(H(2)O)(3)[Lu(pydc)(H(2)O)(3)](3)}[SiW(12)O(40)]·26.5H(2)O. |
Authors of publication | Li, Suzhi; Zhang, Dongdi; Guo, Yuan Yuan; Ma, Pengtao; Qiu, Xiaoyang; Wang, Jingping; Niu, Jingyang |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2012 |
Journal volume | 41 |
Journal issue | 33 |
Pages of publication | 9885 - 9888 |
a | 19.8631 ± 0.0006 Å |
b | 19.8631 ± 0.0006 Å |
c | 20.455 ± 0.0005 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 6989.1 ± 0.3 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 8 |
Space group number | 146 |
Hermann-Mauguin space group symbol | R 3 :H |
Hall space group symbol | R 3 |
Residual factor for all reflections | 0.0565 |
Residual factor for significantly intense reflections | 0.0537 |
Weighted residual factors for significantly intense reflections | 0.1376 |
Weighted residual factors for all reflections included in the refinement | 0.1393 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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