Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7024142
Preview
| Coordinates | 7024142.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C35 H35 B Cl6 N5 O P Ru S3 |
|---|---|
| Calculated formula | C35 H35 B Cl6 N5 O P Ru S3 |
| Title of publication | A new hybrid scorpionate ligand: a study of the metal-boron bond within metallaboratrane complexes. |
| Authors of publication | Owen, Gareth R.; Gould, P. Hugh; Charmant, Jonathan P. H.; Hamilton, Alex; Saithong, Saowanit |
| Journal of publication | Dalton transactions (Cambridge, England : 2003) |
| Year of publication | 2010 |
| Journal volume | 39 |
| Journal issue | 2 |
| Pages of publication | 392 - 400 |
| a | 16.376 ± 0.003 Å |
| b | 10.867 ± 0.002 Å |
| c | 24.024 ± 0.005 Å |
| α | 90° |
| β | 106.38 ± 0.03° |
| γ | 90° |
| Cell volume | 4101.7 ± 1.5 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 9 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.093 |
| Residual factor for significantly intense reflections | 0.0654 |
| Weighted residual factors for significantly intense reflections | 0.1351 |
| Weighted residual factors for all reflections included in the refinement | 0.1531 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.159 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71074 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 288091 (current) | 2023-12-06 | cod/ Corrected misspelt data names in multiple entries using the 'cif_correct_tags' program and a data names replacement file from cod-tools revision 9822. This change affected only the misspelt variants of the '_diffrn_measurement_specimen_support' data name. |
7024142.cif |
| 179946 | 2016-03-25 | cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/41. |
7024142.cif |
| 92203 | 2014-01-12 | cif/ Adding structures of 7024142, 7024143, 7024144 via cif-deposit CGI script. |
7024142.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.