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Information card for entry 4323529
Preview
| Coordinates | 4323529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | ChemSpider |
| Chemical name | (4,4'-dicarboxylic acid 2,2'-bipyridine)trichloronitrosyl ruthenium(II) |
|---|---|
| Formula | C12 H8 Cl3 N3 O5 Ru |
| Calculated formula | C12 H8 Cl3 N3 O5 Ru |
| SMILES | [Ru]1(Cl)(Cl)(Cl)(N=O)[n]2ccc(cc2c2[n]1ccc(c2)C(=O)O)C(=O)O |
| Title of publication | Formation of Ruthenium Nitrosyl Complexes: Reactions of Ru(bpy)(CO)2Cl2 and Its Methyl-Substituted Analogues Ru(4,4'-dmbpy)(CO)2Cl2 and Ru(6,6'-dmbpy)(CO)2Cl2 in Oxidizing Acidic Solutions |
| Authors of publication | Pertti Homanen; Matti Haukka; Markku Ahlgrén; Tapani A. Pakkanen |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 1997 |
| Journal volume | 36 |
| Pages of publication | 3794 - 3797 |
| a | 8.359 ± 0.002 Å |
| b | 19.625 ± 0.008 Å |
| c | 10.339 ± 0.004 Å |
| α | 90° |
| β | 110.5 ± 0.02° |
| γ | 90° |
| Cell volume | 1588.7 ± 1 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.084 |
| Residual factor for significantly intense reflections | 0.0466 |
| Weighted residual factors for all reflections | 0.0923 |
| Weighted residual factors for significantly intense reflections | 0.0801 |
| Goodness-of-fit parameter for all reflections | 1.055 |
| Goodness-of-fit parameter for significantly intense reflections | 1.114 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201982 (current) | 2017-10-13 | cif/ Marking COD entries in range 4 that are known to be related to ChemSpider entries using the _cod_related_entry data loop. |
4323529.cif |
| 179338 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/35. |
4323529.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4323529.cif |
| 134621 | 2015-04-02 | The 'cif_fix_values' script with an option '--fix-only-weighting-scheme' and 'cif_filter' script were run over CIF files which included an incorrect value of the data item '_refine_ls_weighting_scheme'. Read the log for more details. There were more than 18k CIF files with values to modify. Usually these incorrect values include comment with formulas, but values of this data item must be an enumerator. The script creates new data item '_refine_ls_weighting_details' to store these comments with formulas, and writes the enumerator 'calc' as a value of data item '_refine_ls_weighting_scheme'. There exists some exceptions in the script. |
4323529.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4323529.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4323529.cif |
| 23776 | 2011-08-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4323529 via cif-deposit CGI script. |
4323529.cif |
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