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Information card for entry 2230101
Preview
| Coordinates | 2230101.cif |
|---|---|
| Structure factors | 2230101.hkl |
| Original IUCr paper | HTML |
| Chemical name | [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane monosolvate |
|---|---|
| Formula | C23 H29 Cl3 F6 N3 P Ru |
| Calculated formula | C23 H29 Cl3 F6 N3 P Ru |
| SMILES | [Ru]123456(Cl)([n]7ccccc7Nc7[n]1cccc7)[c]1([c]2([c]3([c]4([c]5([c]61C)C)C)C)C)C.[P](F)(F)(F)(F)(F)[F-].ClCCl |
| Title of publication | [Bis(2-pyridyl-κ<i>N</i>)amine]chlorido(η^6^-hexamethylbenzene)ruthenium(II) hexafluoridophosphate dichloromethane solvate |
| Authors of publication | Gupta, Gajendra; Therrien, Bruno; Kim, Jinkwon |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 5 |
| Pages of publication | m548 |
| a | 15.5241 ± 0.0004 Å |
| b | 9.1644 ± 0.0002 Å |
| c | 18.9108 ± 0.0005 Å |
| α | 90° |
| β | 93.621 ± 0.001° |
| γ | 90° |
| Cell volume | 2685.05 ± 0.12 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0414 |
| Residual factor for significantly intense reflections | 0.0331 |
| Weighted residual factors for significantly intense reflections | 0.082 |
| Weighted residual factors for all reflections included in the refinement | 0.0869 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.063 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181223 (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 2/23/01. |
2230101.cif 2230101.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. |
2230101.cif 2230101.hkl |
| 171761 | 2015-12-30 | cod/ (antanas@echidna.ibt.lt) Removing _chemical_name_common tags with whitespace values from multiple entries in range 2. |
2230101.cif 2230101.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2230101.cif 2230101.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. | 2230101.cif 2230101.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2230101.cif 2230101.hkl |
| 22560 | 2011-07-04 | hkl/ Adding Fobs files for the recent IUCr data deposition. |
2230101.cif 2230101.hkl |
| 20171 | 2011-06-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2230101 via cif-deposit CGI script. |
2230101.cif |
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