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Information card for entry 7006610
Preview
Coordinates | 7006610.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C54 H58 N4 O4 S2 Y2 |
---|---|
Calculated formula | C54 H58 N4 O4 S2 Y2 |
SMILES | [cH]12[cH]3[cH]4[cH]5[cH]1[Y]16789%102345([cH]2[cH]%10[cH]7[cH]6[cH]12)[N](=C([O]9[Y]12345679%10([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]%10[cH]7[cH]6[cH]51)[N](=C([O]89)Sc1ccc(N)cc1)c1ccccc1)Sc1ccc(N)cc1)c1ccccc1.O1CCCC1.O1CCCC1 |
Title of publication | Unusual modification methods for the ureido ligand of lanthanocene derivatives. |
Authors of publication | Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2006 |
Journal issue | 9 |
Pages of publication | 1168 - 1173 |
a | 11.192 ± 0.003 Å |
b | 11.414 ± 0.004 Å |
c | 12.089 ± 0.004 Å |
α | 115.648 ± 0.004° |
β | 101.544 ± 0.004° |
γ | 100.942 ± 0.004° |
Cell volume | 1295.5 ± 0.7 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.071 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1001 |
Weighted residual factors for all reflections included in the refinement | 0.1059 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.921 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
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/7006610.html
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Users of the data should acknowledge the original authors of the
structural data.