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Information card for entry 7218274
Preview
| Coordinates | 7218274.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C66 H44 Ce2 Cl6 N4 O14 |
|---|---|
| Calculated formula | C66 H44 Ce2 Cl6 N4 O14 |
| SMILES | c1ccc2c3[n]1[Ce]145([n]6cccc(c36)cc2)([O]=C(c2ccc(cc2)Cl)O[Ce]2([n]3cccc6ccc7ccc[n]2c7c36)([O]=C(O1)c1ccc(cc1)Cl)(OC(=[O]5)c1ccc(cc1)Cl)([O]=C(O4)c1ccc(cc1)Cl)(OC(=O)c1ccc(cc1)Cl)[OH2])(OC(=O)c1ccc(cc1)Cl)[OH2] |
| Title of publication | Exploring supramolecular assembly and luminescent behavior in a series of RE-p-chlorobenzoic acid-1,10-phenanthroline complexes |
| Authors of publication | Carter, Korey P.; Zulato, Cecília H. F.; Cahill, Christopher L. |
| Journal of publication | CrystEngComm |
| Year of publication | 2014 |
| Journal volume | 16 |
| Journal issue | 44 |
| Pages of publication | 10189 |
| a | 8.4595 ± 0.0005 Å |
| b | 12.9231 ± 0.0008 Å |
| c | 15.4404 ± 0.0009 Å |
| α | 98.995 ± 0.006° |
| β | 100.654 ± 0.007° |
| γ | 100.68 ± 0.006° |
| Cell volume | 1598.09 ± 0.18 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 | 0.057 |
| Residual factor for significantly intense reflections | 0.0384 |
| Weighted residual factors for significantly intense reflections | 0.0688 |
| Weighted residual factors for all reflections included in the refinement | 0.0755 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.995 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180513 (current) | 2016-03-26 | cif/7/21/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/21/82. |
7218274.cif |
| 126361 | 2014-11-06 | cif/ Updating files of 7218273, 7218274, 7218275, 7218276, 7218277, 7218278, 7218279, 7218280, 7218281, 7218282, 7218283 Original log message: Adding full bibliography for 7218273--7218283.cif. |
7218274.cif |
| 124292 | 2014-09-27 | cif/ Adding structures of 7218273, 7218274, 7218275, 7218276, 7218277, 7218278, 7218279, 7218280, 7218281, 7218282, 7218283 via cif-deposit CGI script. |
7218274.cif |
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Users of the data should acknowledge the original authors of the
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