Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2019088
Preview
| Coordinates | 2019088.cif |
|---|---|
| Structure factors | 2019088.hkl |
| Original IUCr paper | HTML |
| Chemical name | [2-(Aminomethyl)pyridine-κ^2^<i>N</i>,<i>N</i>'][chlorido/trifluoromethanesulfonato(0.91/0.09)][(10,11-η)-5<i>H</i>-dibenzo[<i>a</i>,<i>d</i>]cyclohepten-5-amine-κ<i>N</i>](triphenylphosphane-κ<i>P</i>)ruthenium(II) trifluoromethanesulfonate dichloromethane 0.91-solvate, |
|---|---|
| Formula | C41 H37.83 Cl2.74 F3.26 N3 O3.26 P Ru S1.09 |
| Calculated formula | C41 H37.828 Cl2.742 F3.258 N3 O3.258 P Ru S1.086 |
| Title of publication | A mixed chloride/trifluoromethanesulfonate ligand species in a ruthenium(II) complex |
| Authors of publication | Santiso-Quinones, Gustavo; Rodriguez-Lugo, Rafael E. |
| Journal of publication | Acta Crystallographica Section C |
| Year of publication | 2013 |
| Journal volume | 69 |
| Journal issue | 8 |
| Pages of publication | 859 - 861 |
| a | 14.374 ± 0.003 Å |
| b | 15.875 ± 0.003 Å |
| c | 17.235 ± 0.003 Å |
| α | 90° |
| β | 94.019 ± 0.004° |
| γ | 90° |
| Cell volume | 3923.1 ± 1.3 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 9 |
| 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 | 0.0521 |
| Residual factor for significantly intense reflections | 0.0342 |
| Weighted residual factors for significantly intense reflections | 0.0746 |
| Weighted residual factors for all reflections included in the refinement | 0.0816 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.028 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180859 (current) | 2016-04-02 | cif/2/01/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01/90. |
2019088.cif 2019088.hkl |
| 176760 | 2016-02-20 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/01. |
2019088.cif 2019088.hkl |
| 89416 | 2013-10-25 | cif/ (saulius@koala.ibt.lt) Adding links pointing to FOBS data to the recently deposited structures from IUCr. |
2019088.cif 2019088.hkl |
| 89414 | 2013-10-24 | cod/ (saulius@koala.ibt.lt) Adding FOBS data for the recently deposited IUCr structures. |
2019088.cif 2019088.hkl |
| 88272 | 2013-09-04 | cif/ Adding structures of 2019088 via cif-deposit CGI script. |
2019088.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.