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Information card for entry 7227593
Preview
Coordinates | 7227593.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C72 H50 Br6 La2 N6 O14 |
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Calculated formula | C72 H50 Br6 La2 N6 O14 |
SMILES | c1cccc2c3cccc4c5cccc[n]5[La]567([n]12)([n]34)([O]=C(c1ccc(Br)cc1)O5)([O]=C(O6)c1ccc(Br)cc1)[O]=C(O[La]12([n]3ccccc3c3[n]2c(c2[n]1cccc2)ccc3)([O]=C(O7)c1ccc(Br)cc1)(OC(=O)c1ccc(Br)cc1)(OC(=O)c1ccc(Br)cc1)([OH2])[OH2])c1ccc(Br)cc1 |
Title of publication | RE-p-halobenzoic acid‒terpyridine complexes, Part II: structural diversity, supramolecular assembly, and luminescence properties in a series of p-bromobenzoic acid rare-earth hybrid materials |
Authors of publication | Ridenour, J. August; Carter, Korey P.; Butcher, Ray J.; Cahill, Christopher L. |
Journal of publication | CrystEngComm |
Year of publication | 2017 |
Journal volume | 19 |
Journal issue | 8 |
Pages of publication | 1172 |
a | 25.3124 ± 0.0012 Å |
b | 29.7294 ± 0.0014 Å |
c | 9.5415 ± 0.0004 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 7180.2 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 6 |
Space group number | 52 |
Hermann-Mauguin space group symbol | P n n a |
Hall space group symbol | -P 2a 2bc |
Residual factor for all reflections | 0.0687 |
Residual factor for significantly intense reflections | 0.0349 |
Weighted residual factors for significantly intense reflections | 0.0716 |
Weighted residual factors for all reflections included in the refinement | 0.0829 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.023 |
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/7227593.html
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