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Information card for entry 2233029
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| Coordinates | 2233029.cif |
|---|---|
| Structure factors | 2233029.hkl |
| Original IUCr paper | HTML |
| Chemical name | Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate |
|---|---|
| Formula | C28 H23 F6 N5 O P Ru |
| Calculated formula | C28 H20 F6 N5 O P Ru |
| SMILES | c12cccc[n]1[Ru]13([n]4ccccc4c4[n]1cccc4)([n]1ccccc1c1[n]3cccc1)O2.[P](F)(F)(F)(F)(F)[F-].c1ccccc1 |
| Title of publication | Bis(2,2'-bipyridine)(pyridin-2-olato)ruthenium(II) hexafluoridophosphate benzene hemisolvate |
| Authors of publication | Hamaguchi, Tomohiko; Ando, Isao |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 12 |
| Pages of publication | m1687 |
| a | 21.418 ± 0.0004 Å |
| b | 17.5316 ± 0.0004 Å |
| c | 16.8375 ± 0.0003 Å |
| α | 90° |
| β | 113.387 ± 0.0007° |
| γ | 90° |
| Cell volume | 5802.9 ± 0.2 Å3 |
| Cell temperature | 200 ± 2 K |
| Ambient diffraction temperature | 200 ± 2 K |
| Number of distinct elements | 7 |
| 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 | 0.0509 |
| Residual factor for significantly intense reflections | 0.0467 |
| Weighted residual factors for significantly intense reflections | 0.1485 |
| Weighted residual factors for all reflections included in the refinement | 0.155 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71075 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| 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. |
2233029.cif 2233029.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. |
2233029.cif 2233029.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2233029.cif 2233029.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. | 2233029.cif 2233029.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2233029.cif 2233029.hkl |
| 31923 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2233029 via cif-deposit CGI script. |
2233029.cif |
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Users of the data should acknowledge the original authors of the
structural data.