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Information card for entry 7213681
Preview
Coordinates | 7213681.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H50 Cl6 N6 O14 Pr2 |
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Calculated formula | C72 H50 Cl6 N6 O14 Pr2 |
SMILES | c12cccc3[n]2[Pr]24(OC(=O)c5ccc(cc5)Cl)([OH2])([n]5ccccc15)([n]1c3cccc1)([O]=C(O2)c1ccc(cc1)Cl)[O]=C(O[Pr]123([n]5ccccc5c5cccc([n]15)c1[n]2cccc1)([O]=C(O3)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)([O]=C(O4)c1ccc(cc1)Cl)[OH2])c1ccc(cc1)Cl |
Title of publication | A series of Ln-p-chlorobenzoic acid‒terpyridine complexes: lanthanide contraction effects, supramolecular interactions and luminescent behavior |
Authors of publication | Carter, Korey P.; Pope, Simon J. A.; Cahill, Christopher L. |
Journal of publication | CrystEngComm |
Year of publication | 2014 |
Journal volume | 16 |
Journal issue | 10 |
Pages of publication | 1873 |
a | 13.47 ± 0.004 Å |
b | 25.55 ± 0.007 Å |
c | 9.964 ± 0.003 Å |
α | 90° |
β | 91.569 ± 0.004° |
γ | 90° |
Cell volume | 3427.9 ± 1.7 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0576 |
Residual factor for significantly intense reflections | 0.0347 |
Weighted residual factors for significantly intense reflections | 0.0682 |
Weighted residual factors for all reflections included in the refinement | 0.0766 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.984 |
Diffraction radiation probe | x-ray |
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/7213681.html
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Users of the data should acknowledge the original authors of the
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