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Information card for entry 2238334
Preview
| Coordinates | 2238334.cif |
|---|---|
| Structure factors | 2238334.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III) |
|---|---|
| Formula | C33 H23 N2 O6 Sm |
| Calculated formula | C33 H23 N2 O6 Sm |
| SMILES | c1ccc2ccc3ccc[n]4c3c2[n]1[Sm]1234(Oc4ccccc4C=[O]1)(Oc1ccccc1C=[O]2)Oc1ccccc1C=[O]3 |
| Title of publication | Tris(2-formylphenolato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')samarium(III) |
| Authors of publication | Zhong, Yun; Yang, Jinbing; Hu, Ling |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | m430 |
| a | 24.1921 ± 0.0009 Å |
| b | 14.6474 ± 0.0006 Å |
| c | 17.4681 ± 0.0007 Å |
| α | 90° |
| β | 115.28° |
| γ | 90° |
| Cell volume | 5597.1 ± 0.4 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 15 |
| Hermann-Mauguin space group symbol | C 1 2/c 1 |
| Hall space group symbol | -C 2yc |
| Residual factor for all reflections | 0.0207 |
| Residual factor for significantly intense reflections | 0.0174 |
| Weighted residual factors for significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.0487 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.09 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181305 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/83. |
2238334.cif 2238334.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2238334.cif 2238334.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2238334.cif 2238334.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2238334.cif 2238334.hkl |
| 88173 | 2013-09-04 | cif/ Adding structures of 2238334 via cif-deposit CGI script. |
2238334.cif |
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