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Information card for entry 7228557
Preview
Coordinates | 7228557.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C78 H66 Dy4 N18 O22 |
---|---|
Calculated formula | C78 H66 Dy4 N18 O22 |
SMILES | c1ccc2cn1=[O][Dy]13456([N](N=C(O4)c4cn(=O)ccc4)=Cc4[n]1c1c(cc4)cccc1[O]5[Dy]1457([N](=Cc8ccc9cccc([O]35)c9[n]18)N=C(c1cccn(c1)=[O][Dy]13589([N](N=C(O5)c5cn(=O)ccc5)=Cc5[n]1c1c(cc5)cccc1[O]8[Dy]158%10([N](=Cc%11[n]1c1c([O]38)cccc1cc%11)N=C2O5)([O]=C(O9)C)[O]=C(C)O%10)[O]=CN(C)C)O4)([O]=C(O6)C)[O]=C(C)O7)[O]=CN(C)C |
Title of publication | Construction and magnetic study of two new dysprosium complexes with chain or tetranuclear structure |
Authors of publication | Yang, Jing; Ma, Fang; Deng, Xuebin; Sun, Hao-Ling; Zhang, Yiquan |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
a | 10.5185 ± 0.0004 Å |
b | 12.0831 ± 0.0004 Å |
c | 16.6476 ± 0.0004 Å |
α | 104.64 ± 0.003° |
β | 93.446 ± 0.003° |
γ | 92.084 ± 0.003° |
Cell volume | 2040.53 ± 0.12 Å3 |
Cell temperature | 212 ± 30 K |
Ambient diffraction temperature | 212 ± 30 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0412 |
Residual factor for significantly intense reflections | 0.0338 |
Weighted residual factors for significantly intense reflections | 0.0801 |
Weighted residual factors for all reflections included in the refinement | 0.0857 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0244 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7228557.html
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Users of the data should acknowledge the original authors of the
structural data.