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Information card for entry 4300110
Preview
| Coordinates | 4300110.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C54 H50 Cl6 F12 N8 O2 P2 Ru |
|---|---|
| Calculated formula | C54 H50 Cl6 F12 N8 O2 P2 Ru |
| Title of publication | Novel Synthetic Routes to Several New, Differentially Substituted Ruthenium Tris(4,4'-disubstituted-2,2-bipyridine) Complexes |
| Authors of publication | Dusan Hesek; Yoshihisa Inoue; Simon R. L. Everitt; Hitoshi Ishida; Mieko Kunieda; Michael G. B. Drew |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 308 - 316 |
| a | 10.314 ± 0.009 Å |
| b | 25.82 ± 0.016 Å |
| c | 12.191 ± 0.011 Å |
| α | 90° |
| β | 103.405 ± 0.01° |
| γ | 90° |
| Cell volume | 3158 ± 4 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 4 |
| Hermann-Mauguin space group symbol | P 1 21 1 |
| Hall space group symbol | P 2yb |
| Residual factor for all reflections | 0.1092 |
| Residual factor for significantly intense reflections | 0.0627 |
| Weighted residual factors for significantly intense reflections | 0.1696 |
| Weighted residual factors for all reflections included in the refinement | 0.2007 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.982 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 134621 (current) | 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. |
4300110.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4300110.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4300110.cif |
| 19557 | 2011-05-18 | cif/4 More CIFs and SQL data updated from Inorg. Chem. 2000 downloaded files |
4300110.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. |
4300110.cif |
| 853 | 2009-11-16 | cif/ Reconstructing spacegroup designators from the symmetry operators were possible. The comands used can be found in the log file reformat-spacegroups-2009.11.14.log committed with the current revision. Only lines that contained spacegroup designators were changed, and all files pass vcif test after the conversion. |
4300110.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/' |
4300110.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
4300110.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. |
4300110.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) |
4300110.cif |
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Users of the data should acknowledge the original authors of the
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