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Information card for entry 7215344
Preview
Coordinates | 7215344.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C48 H52 Cl6 N4 O12 Pr2 Zn2 |
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Calculated formula | C48 H52 Cl6 N4 O12 Pr2 Zn2 |
SMILES | c1c2[O](C)[Pr]345([OH]C)([OH]C)([O]6c7c(C=[N]8[Zn]96([O]3c2c(cc1)C=[N]9c1ccccc81)Cl)cccc7[O]4C)([Cl][Pr]123([OH]C)([OH]C)([O]4c6c(cccc6[O]3C)C=[N]3c6c([N]7=Cc8cccc([O]2C)c8[O]1[Zn]437Cl)cccc6)([Cl]5)Cl)Cl |
Title of publication | Effect of lanthanide contraction and rigid ligand on the structure of salen-type lanthanide complexes |
Authors of publication | Chen, Peng; Chen, Han; Yan, Pengfei; Wang, Yan; Li, Guangming |
Journal of publication | CrystEngComm |
Year of publication | 2011 |
Journal volume | 13 |
Journal issue | 20 |
Pages of publication | 6237 |
a | 10.393 ± 0.002 Å |
b | 11.27 ± 0.002 Å |
c | 12.065 ± 0.002 Å |
α | 105.91 ± 0.03° |
β | 95.95 ± 0.03° |
γ | 96.73 ± 0.03° |
Cell volume | 1336 ± 0.5 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 7 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.031 |
Residual factor for significantly intense reflections | 0.0248 |
Weighted residual factors for significantly intense reflections | 0.0505 |
Weighted residual factors for all reflections included in the refinement | 0.0526 |
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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The link is: https://www.crystallography.net/7215344.html
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Users of the data should acknowledge the original authors of the
structural data.