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Information card for entry 4327484
Preview
| Coordinates | 4327484.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C61 H66 B Cl3 N12 Na O Y |
|---|---|
| Calculated formula | C61 H65 B Cl3 N12 Na O Y |
| SMILES | [Y]12(Cl)(Cl)(Cl)[n]3n([BH](n4[n]1c(cc4C)C)n1[n]2c(cc1C)C)c(cc3C)C.[Na]123([n]5c6c(ccc5C)ccc5c6[n]1c(cc5)C)([n]1c5c(ccc1C)ccc1c5[n]2c(cc1)C)[n]1c(ccc2ccc5c(c12)[n]3c(cc5)C)C.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 | 11.2096 ± 0.0016 Å |
| b | 15.6214 ± 0.0018 Å |
| c | 17.8963 ± 0.0018 Å |
| α | 93.024 ± 0.012° |
| β | 97.632 ± 0.011° |
| γ | 95.165 ± 0.012° |
| Cell volume | 3086.8 ± 0.7 Å3 |
| Cell temperature | 268 ± 2 K |
| Ambient diffraction temperature | 268 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.2752 |
| Residual factor for significantly intense reflections | 0.1391 |
| Weighted residual factors for significantly intense reflections | 0.3214 |
| Weighted residual factors for all reflections included in the refinement | 0.3987 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.062 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179377 (current) | 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. |
4327484.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4327484.cif |
| 61279 | 2012-06-26 | cif/4 Fixing wrong year of publication of several entries (there was a mistake when these files were deposited) |
4327484.cif |
| 61255 | 2012-06-25 | cif/ Adding structures of 4327484 via cif-deposit CGI script. |
4327484.cif |
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Users of the data should acknowledge the original authors of the
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