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Information card for entry 4069040
Preview
| Coordinates | 4069040.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C19 H27 B Cl N O2 Ru |
|---|---|
| Calculated formula | C19 H27 B Cl N O2 Ru |
| SMILES | [Ru]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)B(Cl)N(C1CCCCC1)C1CCCCC1 |
| Title of publication | Half-Sandwich Group 8 Borylene Complexes: Synthetic and Structural Studies and Oxygen Atom Abstraction Chemistry |
| Authors of publication | Pierce, Glesni A.; Vidovic, Dragoslav; Kays, Deborah L.; Coombs, Natalie D.; Thompson, Amber L.; Jemmis, Eluvathingal D.; De, Susmita; Aldridge, Simon |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 10 |
| Pages of publication | 2947 |
| a | 11.8422 ± 0.0002 Å |
| b | 11.8546 ± 0.0002 Å |
| c | 14.4183 ± 0.0002 Å |
| α | 90° |
| β | 98.7952 ± 0.0007° |
| γ | 90° |
| Cell volume | 2000.31 ± 0.06 Å3 |
| Cell temperature | 150 K |
| Ambient diffraction temperature | 150 K |
| Number of distinct elements | 7 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0312 |
| Residual factor for significantly intense reflections | 0.026 |
| Weighted residual factors for all reflections | 0.0648 |
| Weighted residual factors for significantly intense reflections | 0.0636 |
| Weighted residual factors for all reflections included in the refinement | 0.0648 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.9859 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4069040.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4069040.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4069040.cif |
| 40102 | 2012-03-07 | ../uploads/cif-deposit/cod/cif Adding structures of 4069040, 4069041, 4069042, 4069043, 4069044, 4069045, 4069046 via cif-deposit CGI script. |
4069040.cif |
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Users of the data should acknowledge the original authors of the
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