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Information card for entry 4327486
Preview
| Coordinates | 4327486.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | PubChem |
| Formula | C48 H68 B2 La N14 O2 |
|---|---|
| Calculated formula | C48 H68 B2 La N14 O2 |
| SMILES | [La]12345([n]6ccccc6c6[n]1cccc6)([n]1n(c(cc1C)C)[BH](n1[n]2c(cc1C)C)n1[n]3c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]4c(cc1C)C)n1[n]5c(cc1C)C.O1CCCC1.O1CCCC1 |
| Title of publication | Coordination of 2,2'-Bipyridyl and 1,10-Phenanthroline to Yttrium and Lanthanum Complexes Based on a Scorpionate Ligand |
| Authors of publication | Dmitrii Roitershtein; Ângela Domingos; Laura C. J. Pereira; José R. Ascenso; Noémia Marques |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 7666 - 7673 |
| a | 14.455 ± 0.004 Å |
| b | 20.877 ± 0.004 Å |
| c | 17.339 ± 0.004 Å |
| α | 90° |
| β | 95.73 ± 0.02° |
| γ | 90° |
| Cell volume | 5206 ± 2 Å3 |
| Cell temperature | 283 ± 2 K |
| Ambient diffraction temperature | 283 ± 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 | 0.1942 |
| Residual factor for significantly intense reflections | 0.0897 |
| Weighted residual factors for significantly intense reflections | 0.1814 |
| Weighted residual factors for all reflections included in the refinement | 0.2293 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.049 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 301838 (current) | 2025-08-21 | Add cross-references to PubChem compounds in COD range 4/32/ Each referenced PubChem compound corresponds to the full crystal structure. |
4327486.cif |
| 179377 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/74. |
4327486.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327486.cif |
| 61279 | 2012-06-26 | cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited) |
4327486.cif |
| 61257 | 2012-06-25 | cif/ Adding structures of 4327486 via cif-deposit CGI script. |
4327486.cif |
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