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Information card for entry 2230477
Preview
| Coordinates | 2230477.cif |
|---|---|
| Structure factors | 2230477.hkl |
| Original IUCr paper | HTML |
| Chemical name | Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]- κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III) |
|---|---|
| Formula | C45 H39 N6 O6 S3 Sm |
| Calculated formula | C45 H39 N6 O6 S3 Sm |
| Title of publication | Tris[6-methoxy-2-(phenyliminiomethyl)phenolato]-κ^4^<i>O</i>,<i>O</i>';κ<i>O</i>^1^-tris(thiocyanato-κ<i>N</i>)samarium(III) |
| Authors of publication | Ge, Guo-Di; Shen, Jin-Bei; Zhao, Guo-Liang |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | m706 - m707 |
| a | 19.5821 ± 0.0013 Å |
| b | 20.3531 ± 0.0014 Å |
| c | 22.4764 ± 0.0016 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 8958.1 ± 1.1 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 61 |
| Hermann-Mauguin space group symbol | P b c a |
| Hall space group symbol | -P 2ac 2ab |
| Residual factor for all reflections | 0.0918 |
| Residual factor for significantly intense reflections | 0.0395 |
| Weighted residual factors for significantly intense reflections | 0.0646 |
| Weighted residual factors for all reflections included in the refinement | 0.0771 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.992 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181226 (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 2/23/04. |
2230477.cif 2230477.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. |
2230477.cif 2230477.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230477.cif 2230477.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2230477.cif 2230477.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230477.cif 2230477.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230477.cif 2230477.hkl |
| 22465 | 2011-07-04 | ../uploads/cif-deposit/cod/cif Adding structures of 2230477 via cif-deposit CGI script. |
2230477.cif |
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Users of the data should acknowledge the original authors of the
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