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Information card for entry 4060529
Preview
| Coordinates | 4060529.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H38 Cl3 N4 O9 Ru2 |
|---|---|
| Calculated formula | C35 H38 Cl3 N4 O9 Ru2 |
| SMILES | [Ru]1234([Ru](Cl)([O]=C(O1)C)(OC(=[O]4)C)(N(C=[N]2c1cc(ccc1)OC)c1cc(ccc1)OC)[N](=CN3c1cc(ccc1)OC)c1cc(ccc1)OC)[OH2].ClCCl |
| Title of publication | Selective Ligand Modification on the Periphery of Diruthenium Compounds: Toward New Metal-Alkynyl Scaffolds |
| Authors of publication | Chen, Wei-Zhong; Ren, Tong |
| Journal of publication | Organometallics |
| Year of publication | 2005 |
| Journal volume | 24 |
| Journal issue | 11 |
| Pages of publication | 2660 - 2669 |
| a | 9.8249 ± 0.0004 Å |
| b | 12.2573 ± 0.0005 Å |
| c | 17.0168 ± 0.0007 Å |
| α | 109.913 ± 0.001° |
| β | 90.523 ± 0.001° |
| γ | 93.375 ± 0.001° |
| Cell volume | 1922.48 ± 0.14 Å3 |
| Cell temperature | 300 ± 2 K |
| Ambient diffraction temperature | 300 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0421 |
| Residual factor for significantly intense reflections | 0.0326 |
| Weighted residual factors for significantly intense reflections | 0.071 |
| Weighted residual factors for all reflections included in the refinement | 0.0732 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.01 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 209821 (current) | 2018-08-17 | cif/4/ Updating bibliography in entries 4060526-4060531, 4083958-4083963. Marking entries 4083958-4083963 as duplicates of entries 4060526-4060531. |
4060529.cif |
| 184030 | 2016-06-28 | cif/4/06/05/ Correcting bibliography for entries 4060526--4060531. Previously, bibliography of another paper was provided instead of the correct one. |
4060529.cif |
| 178494 | 2016-03-21 | cif/4/06/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/06/05. |
4060529.cif |
| 111961 | 2014-04-28 | cif/ (saulius@koala.ibt.lt) Adding full bibliographies to structures from the 10.1021/om049702d and the 10.1021/om050171i publications, so that 4060527.cif and 4062828.cif are not perceived as duplicates; marking 4060527.cif and 4062828.cif as describing the same crystal. |
4060529.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4060529.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
4060529.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
4060529.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4060529.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
4060529.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
4060529.cif |
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Users of the data should acknowledge the original authors of the
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