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Information card for entry 7213692
Preview
Coordinates | 7213692.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H25 Cl3 N3 O7 Tm |
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Calculated formula | C36 H25 Cl3 N3 O7 Tm |
SMILES | [Tm]1234([O]=C(O1)c1ccc(cc1)Cl)([O]=C(O2)c1ccc(cc1)Cl)([n]1c(cccc1)c1[n]3c(c2[n]4cccc2)ccc1)(OC(=O)c1ccc(cc1)Cl)[OH2] |
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 | 8.692 ± 0.005 Å |
b | 13.033 ± 0.005 Å |
c | 14.775 ± 0.005 Å |
α | 100.252 ± 0.005° |
β | 97.701 ± 0.005° |
γ | 92.426 ± 0.005° |
Cell volume | 1628.4 ± 1.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0472 |
Residual factor for significantly intense reflections | 0.0359 |
Weighted residual factors for significantly intense reflections | 0.0722 |
Weighted residual factors for all reflections included in the refinement | 0.0754 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.967 |
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/7213692.html
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