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Information card for entry 4312927
Preview
| Coordinates | 4312927.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | 1c |
|---|---|
| Formula | C33 H31 Cl F6 N7 O P Ru |
| Calculated formula | C33 H31 Cl F6 N7 O P Ru |
| SMILES | [Ru]123(Cl)([n]4ccc(cc4c4[n]1[nH]c(c4)c1nccc(c1)C)C)[n]1ccccc1c1[n]2c(ccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].CC(=O)C |
| Title of publication | Monometallic and Dimetallic Ruthenium(II)-Terpyridine Complexes Employing the Tetradentate Ligands Dipyridylpyrazolyl, Dipyridyloxadiazole, and Their Dimethyl Derivatives |
| Authors of publication | Vincent J. Catalano; Tegan J. Craig |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2003 |
| Journal volume | 42 |
| Pages of publication | 321 - 334 |
| a | 8.9129 ± 0.001 Å |
| b | 12.8215 ± 0.0014 Å |
| c | 15.9273 ± 0.0018 Å |
| α | 104.62 ± 0.008° |
| β | 99.414 ± 0.009° |
| γ | 95.211 ± 0.008° |
| Cell volume | 1720.7 ± 0.3 Å3 |
| Cell temperature | 173 ± 2 K |
| Ambient diffraction temperature | 173 ± 2 K |
| Number of distinct elements | 8 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.0594 |
| Weighted residual factors for significantly intense reflections | 0.13 |
| Weighted residual factors for all reflections included in the refinement | 0.147 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.045 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179181 (current) | 2016-03-23 | cif/4/31/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/31/29. |
4312927.cif |
| 120093 | 2014-07-12 | Adding DOIs to range 4/31 structures. | 4312927.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4312927.cif |
| 17004 | 2011-03-31 | cif/ Commiting CIFs, that were updated with the 'cif_fix_values' script, using options '--fix-misspelled replacement_values.lst', '--fix-temperature' and '--fix-enums' with built-in table of enum values. The following cmd was used: > (set -x; find ? -name \*.cif | sort | xargs -i sh -c 'if !( > cif_fix_values --fix-misspelled ~/../inputs/replacament_values.lst {} | > cif_filter --add-cif-header {} | > sponge {} ) 2>&1 | grep NOTE; then svn revert {}; > fi' ) & |
4312927.cif |
| 5996 | 2011-01-10 | ../uploads/cif-deposit/cod/cif Adding structures of 4312927 via cif-deposit CGI script. |
4312927.cif |
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