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Information card for entry 2233289
Preview
| Coordinates | 2233289.cif |
|---|---|
| Structure factors | 2233289.hkl |
| Original IUCr paper | HTML |
| Chemical name | <i>cis</i>-Bis(acetonitrile-κ<i>N</i>)bis(2,2'-bipyridine- κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetrafluoridoborate |
|---|---|
| Formula | C24 H22 B2 F8 N6 Ru |
| Calculated formula | C24 H22 B2 F8 N6 Ru |
| SMILES | [Ru]12([n]3ccccc3c3cccc[n]13)([n]1ccccc1c1cccc[n]21)([N]#CC)[N]#CC.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-] |
| Title of publication | <i>cis</i>-Bis(acetonitrile-κ<i>N</i>)bis(2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')ruthenium(II) tetrafluoridoborate |
| Authors of publication | Wang, Ying; Xu, Feng; Huang, Wei |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 1 |
| Pages of publication | m68 |
| a | 10.5648 ± 0.0007 Å |
| b | 24.0246 ± 0.0017 Å |
| c | 10.4561 ± 0.0007 Å |
| α | 90° |
| β | 90.253 ± 0.001° |
| γ | 90° |
| Cell volume | 2653.9 ± 0.3 Å3 |
| Cell temperature | 291 ± 2 K |
| Ambient diffraction temperature | 291 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0647 |
| Residual factor for significantly intense reflections | 0.0458 |
| Weighted residual factors for significantly intense reflections | 0.1118 |
| Weighted residual factors for all reflections included in the refinement | 0.1205 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.947 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181254 (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 2/23/32. |
2233289.cif 2233289.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. |
2233289.cif 2233289.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233289.cif 2233289.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. | 2233289.cif 2233289.hkl |
| 34292 | 2012-02-14 | hkl/ Adding Fobs data for the recently deposited IUCr structures. |
2233289.cif 2233289.hkl |
| 32352 | 2012-02-08 | ../uploads/cif-deposit/cod/cif Adding structures of 2233289 via cif-deposit CGI script. |
2233289.cif |
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Users of the data should acknowledge the original authors of the
structural data.