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Information card for entry 2228319
Preview
| Coordinates | 2228319.cif |
|---|---|
| Structure factors | 2228319.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bromidotricarbonyl[4-chloro-<i>N</i>-(2-pyridylmethylidene)aniline- κ^2^<i>N</i>,<i>N'</i>]rhenium(I) |
|---|---|
| Formula | C15 H9 Br Cl N2 O3 Re |
| Calculated formula | C15 H9 Br Cl N2 O3 Re |
| SMILES | [Re]1(Br)([n]2ccccc2C=[N]1c1ccc(Cl)cc1)(C#[O])(C#[O])C#[O] |
| Title of publication | Bromidotricarbonyl[4-chloro-<i>N</i>-(2-pyridylmethylidene)aniline-κ^2^<i>N</i>,<i>N</i>']rhenium(I) |
| Authors of publication | Khalaj, Mehdi; Dehghanpour, Saeed; Aleeshah, Roghaieh; Mahmoudi, Ali |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 12 |
| Pages of publication | m1647 |
| a | 8.6559 ± 0.0008 Å |
| b | 8.9037 ± 0.0008 Å |
| c | 10.9442 ± 0.0009 Å |
| α | 75.691 ± 0.005° |
| β | 83.001 ± 0.005° |
| γ | 81.808 ± 0.005° |
| Cell volume | 805.65 ± 0.12 Å3 |
| Cell temperature | 150 ± 1 K |
| Ambient diffraction temperature | 150 ± 1 K |
| Number of distinct elements | 7 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0824 |
| Residual factor for significantly intense reflections | 0.0524 |
| Weighted residual factors for significantly intense reflections | 0.1107 |
| Weighted residual factors for all reflections included in the refinement | 0.1262 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.03 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181204 (current) | 2016-04-03 | hkl/2/22/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22/83. |
2228319.cif 2228319.hkl |
| 176789 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/22. |
2228319.cif 2228319.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2228319.cif 2228319.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. | 2228319.cif 2228319.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2228319.cif 2228319.hkl |
| 11387 | 2011-02-15 | hkl/: Adding Reflection data for the recently deposited IUCr-originating structures. | 2228319.cif 2228319.hkl |
| 5775 | 2011-01-06 | ../uploads/cif-deposit/cod/cif Adding structures of 2228312, 2228313, 2228314, 2228315, 2228316, 2228317, 2228318, 2228319, 2228320, 2228321 via cif-deposit CGI script. |
2228319.cif |
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Users of the data should acknowledge the original authors of the
structural data.