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Information card for entry 7108250
Preview
Coordinates | 7108250.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C136 H154 Dy6 N40 O40 S2 |
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Calculated formula | C136 H150 Dy6 N40 O40 S2 |
SMILES | c12cccc[n]2[Dy]2345678[N](=C1N)N=C1c9c([O]%10[Dy]%11%12%13([O]21)([O]4c1c(C2N[N]4=C(N)c%14[n](cccc%14)[Dy]%14%15%16%17%184([n]4c(cccc4)C(=[N]%14N=C4c%14c([O]%19[Dy]%20%21%22([O]%154)([O]%16c4c(C(=[O]3)N[N]8=C(N)c3[n]7cccc3)cccc4[O]%20C)([O]3C(c4c(O%21)c(OC)ccc4)=N[N]4=C(c7[n](cccc7)[Dy]78%1934([n]3c(cccc3)C(=[N]7N=C(c3c(c(ccc3)OC)O)O8)N)[O]=C(O%17)[O]%18%22)N)N=C=S)c(OC)ccc%14)N)[O]=2)cccc1[O]%11C)(N=C=S)[O]6C(O5)=[O][Dy]1234%10([n]5ccccc5C(=[N]3N=C([O]%122)c2c(O%13)c(OC)ccc2)N)[n]2c(cccc2)C(=[N]1N=C(c1c(c(ccc1)OC)O)O4)N)c(OC)ccc9.C(#N)C.CC#N.CC#N.CO.CO.CO.CO.O.CC#N.CC#N.CC#N.CO.CO.CO.CO.O |
Title of publication | The use of a versatile o-vanilloyl hydrazone ligand to prepare SMM-like Dy3 molecular cluster pair |
Authors of publication | Shufang Xue; Lang Zhao; Yun-Nan Guo; Peng Zhang; Jinkui Tang |
Journal of publication | Chem.Commun. |
Year of publication | 2012 |
Journal volume | 48 |
Pages of publication | 8946 |
a | 15.3269 ± 0.0008 Å |
b | 27.9952 ± 0.0013 Å |
c | 18.0851 ± 0.0008 Å |
α | 90° |
β | 91.497 ± 0.001° |
γ | 90° |
Cell volume | 7757.3 ± 0.6 Å3 |
Cell temperature | 191 ± 2 K |
Ambient diffraction temperature | 191 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.095 |
Residual factor for significantly intense reflections | 0.0577 |
Weighted residual factors for significantly intense reflections | 0.1353 |
Weighted residual factors for all reflections included in the refinement | 0.1595 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.109 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
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The link is: https://www.crystallography.net/7108250.html
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