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Information card for entry 2233139
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| Coordinates | 2233139.cif |
|---|---|
| Structure factors | 2233139.hkl |
| Original IUCr paper | HTML |
| External links | ChemSpider |
| Chemical name | <i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide) |
|---|---|
| Formula | C26 H22 P2 Se2 |
| Calculated formula | C26 H22 P2 Se2 |
| SMILES | c1(ccccc1)P(c1ccccc1)(/C=C/P(c1ccccc1)(c1ccccc1)=[Se])=[Se] |
| Title of publication | <i>trans</i>-(Ethene-1,2-diyl)bis(diphenylphosphine selenide) |
| Authors of publication | Phasha, Zanele; Makhoba, Sizwe; Muller, Alfred |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | o44 |
| a | 9.0604 ± 0.0009 Å |
| b | 14.3239 ± 0.0014 Å |
| c | 17.9617 ± 0.0018 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 2331.1 ± 0.4 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 19 |
| Hermann-Mauguin space group symbol | P 21 21 21 |
| Hall space group symbol | P 2ac 2ab |
| Residual factor for all reflections | 0.0295 |
| Residual factor for significantly intense reflections | 0.0251 |
| Weighted residual factors for all reflections included in the refinement | 0.0533 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.013 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201979 (current) | 2017-10-13 | cif/2/ Marking COD entries in range 2/23 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
2233139.cif 2233139.hkl |
| 181253 | 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 2/23/31. |
2233139.cif 2233139.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. |
2233139.cif 2233139.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233139.cif 2233139.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. | 2233139.cif 2233139.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233139.cif 2233139.hkl |
| 32196 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233139 via cif-deposit CGI script. |
2233139.cif |
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Users of the data should acknowledge the original authors of the
structural data.