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Information card for entry 2233047
Preview
| Coordinates | 2233047.cif |
|---|---|
| Structure factors | 2233047.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)zinc bis(tetraphenylborate) dimethyl sulfoxide monosolvate |
|---|---|
| Formula | C74 H74 B2 N4 O3 S3 Zn |
| Calculated formula | C74 H74 B2 N4 O3 S3 Zn |
| Title of publication | <i>cis</i>-Bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')bis(dimethyl sulfoxide-κ<i>O</i>)zinc bis(tetraphenylborate) dimethyl sulfoxide monosolvate |
| Authors of publication | Tomyn, Stefania; Gumienna-Kontecka, Elżbieta; Usenko, Natalia I.; Iskenderov, Turganbay S.; Prisyazhnaya, Elena V. |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1774 - m1775 |
| a | 13.8836 ± 0.0005 Å |
| b | 18.0029 ± 0.0007 Å |
| c | 26.1594 ± 0.001 Å |
| α | 90° |
| β | 90.225 ± 0.003° |
| γ | 90° |
| Cell volume | 6538.4 ± 0.4 Å3 |
| Cell temperature | 120 ± 2 K |
| Ambient diffraction temperature | 120 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0812 |
| Residual factor for significantly intense reflections | 0.0423 |
| Weighted residual factors for significantly intense reflections | 0.0874 |
| Weighted residual factors for all reflections included in the refinement | 0.0947 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.941 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181252 (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 2/23/30. |
2233047.cif 2233047.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. |
2233047.cif 2233047.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233047.cif 2233047.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. | 2233047.cif 2233047.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233047.cif 2233047.hkl |
| 31942 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233047 via cif-deposit CGI script. |
2233047.cif |
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Users of the data should acknowledge the original authors of the
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