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Information card for entry 2231637
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| Coordinates | 2231637.cif |
|---|---|
| Structure factors | 2231637.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane- κ<i>P</i>]chromium(0) |
|---|---|
| Formula | C40 H24 Cr F6 O4 P2 |
| Calculated formula | C40 H24 Cr F6 O4 P2 |
| SMILES | c1cc(ccc1[P](c1ccc(F)cc1)(c1ccc(F)cc1)[Cr](C#[O])(C#[O])(C#[O])([P](c1ccc(cc1)F)(c1ccc(F)cc1)c1ccc(F)cc1)C#[O])F |
| Title of publication | <i>trans</i>-Tetracarbonylbis[tris(4-fluorophenyl)phosphane-κ<i>P</i>]chromium(0) |
| Authors of publication | Norlidah, M. N.; Hamdya, F. M. Y.; Bin Shawkataly, Omar; Rosli, Mohd Mustaqim; Fun, Hoong-Kun |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 9 |
| Pages of publication | m1314 - m1315 |
| a | 11.9318 ± 0.0008 Å |
| b | 18.0956 ± 0.0008 Å |
| c | 15.8195 ± 0.0008 Å |
| α | 90° |
| β | 92.74 ± 0.001° |
| γ | 90° |
| Cell volume | 3411.7 ± 0.3 Å3 |
| Cell temperature | 100 ± 1 K |
| Ambient diffraction temperature | 100 ± 1 K |
| Number of distinct elements | 6 |
| 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 | 0.0287 |
| Residual factor for significantly intense reflections | 0.0258 |
| Weighted residual factors for significantly intense reflections | 0.0714 |
| Weighted residual factors for all reflections included in the refinement | 0.0738 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.038 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181238 (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 2/23/16. |
2231637.cif 2231637.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. |
2231637.cif 2231637.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2231637.cif 2231637.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. | 2231637.cif 2231637.hkl |
| 27934 | 2011-10-07 | hkl/ Ading Fonst files assigned to the recently deposited IUCr coordinates. |
2231637.cif 2231637.hkl |
| 27767 | 2011-10-07 | ../uploads/cif-deposit/cod/cif Adding structures of 2231637 via cif-deposit CGI script. |
2231637.cif |
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Users of the data should acknowledge the original authors of the
structural data.