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Information card for entry 7004276
Preview
| Coordinates | 7004276.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | [Ru(CO)4(IPr)].toluene |
|---|---|
| Formula | C38 H44 N2 O4 Ru |
| Calculated formula | C38 H44 N2 O4 Ru |
| SMILES | [Ru](=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)(C#[O])(C#[O])(C#[O])C#[O].Cc1ccccc1 |
| Title of publication | The reactivity of N-heterocyclic carbenes and their precursors with [Ru3(CO)12] |
| Authors of publication | Bruce, Michael I.; Cole, Marcus L.; Fung, Ricky S. C.; Forsyth, Craig M.; Hilder, Matthias; Junk, Peter C.; Konstas, Kristina |
| Journal of publication | Dalton Transactions |
| Year of publication | 2008 |
| Journal issue | 31 |
| Pages of publication | 4118 - 4128 |
| a | 18.9137 ± 0.0005 Å |
| b | 9.3589 ± 0.0003 Å |
| c | 19.9644 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 3533.93 ± 0.18 Å3 |
| Cell temperature | 123 ± 2 K |
| Ambient diffraction temperature | 123 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 33 |
| Hermann-Mauguin space group symbol | P n a 21 |
| Hall space group symbol | P 2c -2n |
| Residual factor for all reflections | 0.1073 |
| Residual factor for significantly intense reflections | 0.0533 |
| Weighted residual factors for significantly intense reflections | 0.0699 |
| Weighted residual factors for all reflections included in the refinement | 0.0792 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 213925 (current) | 2019-03-01 | cif/ Moved the _audit_creation_method data item out of the loop in entries 1508200, 1516032, 1517834, 1548517, 1548518, 1548519, 1548520, 1548521, 1548522, 2014597, 2216152, 2241692, 4078301, 4081819, 4084531, 4105795, 4331477, 4336091, 4503532, 4503533, 4503534, 4503535, 7004275, 7004276, 7004277, 7004278, 7004279, 7004280, 7015244, 7055771, 7103304, 7115802, 7115804, 7115805, 7115806, 7153370 7212801. |
7004276.cif |
| 179746 | 2016-03-25 | cif/7/00/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/00/42. |
7004276.cif |
| 120443 | 2014-07-15 | Adding 17924 DOIs guessed from source file names. | 7004276.cif |
| 35909 | 2012-02-26 | cif/7/: reorganising range 7 into a prefix-directory tree. | 7004276.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' ) & |
7004276.cif |
| 1173 | 2010-05-16 | cif/7/: adding data from Dalton-Trans-2008, New-J-Chem-2008, Org-Biomol-Chem-2008 and RSC-2008 processing. | 7004276.cif |
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