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Information card for entry 7010804
Preview
| Coordinates | 7010804.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C56 H54 Cl2 N6 O2.2 P2.33 Ru |
|---|---|
| Calculated formula | C55.6 H44 Cl2 N6 O2.06367 P2.11133 Ru |
| Title of publication | Polypyrazolylmethane complexes of ruthenium |
| Authors of publication | Field, Leslie D.; Messerle, Barbara A.; Soler, Linnea; Buys, Irmi E.; Hambley, Trevor W. |
| Journal of publication | Journal of the Chemical Society, Dalton Transactions |
| Year of publication | 2001 |
| Journal issue | 13 |
| Pages of publication | 1959 - 1965 |
| a | 20.022 ± 0.004 Å |
| b | 20.022 ± 0.004 Å |
| c | 20.022 ± 0.004 Å |
| α | 90.73 ± 0.02° |
| β | 90.73 ± 0.02° |
| γ | 90.73 ± 0.02° |
| Cell volume | 8024 ± 3 Å3 |
| Cell temperature | 273.2 K |
| Ambient diffraction temperature | 273.2 K |
| Number of distinct elements | 7 |
| Space group number | 148 |
| Hermann-Mauguin space group symbol | R -3 :R |
| Hall space group symbol | -P 3* |
| Residual factor for all reflections | 0.0873 |
| Residual factor for significantly intense reflections | 0.0476 |
| Weighted residual factors for all reflections | 0.0544 |
| Weighted residual factors for all reflections included in the refinement | 0.0514 |
| Goodness-of-fit parameter for all reflections | 1.861 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.172 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205778 (current) | 2018-01-28 | cif/7/01/08/ Updating bibliography in entries 7010803-7010804. |
7010804.cif |
| 205777 | 2018-01-28 | cif/7/01/08/ Correcting the space group by changing it from 'R -3 :H' to 'R -3 :R' in entry 7010804 after consulting the original publication. |
7010804.cif |
| 176453 | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7. |
7010804.cif |
| 129439 | 2015-01-07 | cod/ (robertas@burundukas) Correcting values of _exptl_crystal_density_meas and _exptl_crystal_density_method data items: codsql "select codid from validation where message like '%\\'_exptl_crystal_density_meas\\' value \"not measured\" is %'" -NB \ | codid2file \ | xargs perl -i -pe "s/_exptl_crystal_density_meas\\s+'not +measured'/_exptl_crystal_density_meas ?/i; \ s/_exptl_crystal_density_method\\s+('not +measured'|\\?|none)/_exptl_crystal_density_method ./i" |
7010804.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7010804.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7010804.cif |
| 3896 | 2010-12-08 | cif/7/ Adding CIFs with data from Dalton-Trans-2004-2000/. |
7010804.cif |
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