Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4063534
Preview
| Coordinates | 4063534.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C46 H47 B Cl4 N4 P2 Ru S2 |
|---|---|
| Calculated formula | C46 H47 B Cl4 N4 P2 Ru S2 |
| Title of publication | On the Nature of “RuCl(dmso)2{HB(mt)3}” (mt = methimazolyl) |
| Authors of publication | Abernethy, Robyn J.; Hill, Anthony F.; Tshabang, Never; Willis, Anthony C.; Young, Rowan D. |
| Journal of publication | Organometallics |
| Year of publication | 2009 |
| Journal volume | 28 |
| Journal issue | 2 |
| Pages of publication | 488 - 492 |
| a | 13.6077 ± 0.0001 Å |
| b | 19.4945 ± 0.0002 Å |
| c | 20.7775 ± 0.0002 Å |
| α | 105.816 ± 0.0006° |
| β | 100.359 ± 0.0006° |
| γ | 109.625 ± 0.0005° |
| Cell volume | 4765.84 ± 0.08 Å3 |
| Cell temperature | 200 K |
| Ambient diffraction temperature | 200 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 | 0.0585 |
| Residual factor for significantly intense reflections | 0.0424 |
| Weighted residual factors for all reflections | 0.0571 |
| Weighted residual factors for significantly intense reflections | 0.0508 |
| Weighted residual factors for all reflections included in the refinement | 0.0508 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.0713 |
| 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. |
4063534.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 {}' |
4063534.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4063534.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4063534.cif |
| 24276 | 2011-08-18 | ../uploads/cif-deposit/cod/cif Adding structures of 4063534, 4063535 via cif-deposit CGI script. |
4063534.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.