Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4114236
Preview
| Coordinates | 4114236.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | JDS-IV-17 |
|---|---|
| Chemical name | JDS-IV-17 |
| Formula | C16 H18 B Cl2 N7 Os |
| Calculated formula | C16 H18 B Cl2 N7 Os |
| SMILES | [Os]12(Cl)(Cl)([n]3n(ccc3)[BH](n3[n]1ccc3)n1[n]2ccc1)Nc1ccccc1C |
| Title of publication | Slow Hydrogen Atom Self-Exchange between Os(IV) Anilide and Os(III) Aniline Complexes: Relationships with Electron and Proton Transfer Self-Exchange |
| Authors of publication | Jake D. Soper; James M. Mayer |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2003 |
| Journal volume | 125 |
| Pages of publication | 12217 - 12229 |
| a | 9.656 ± 0.0002 Å |
| b | 20.688 ± 0.0005 Å |
| c | 11.772 ± 0.0002 Å |
| α | 90° |
| β | 125.702 ± 0.0013° |
| γ | 90° |
| Cell volume | 1909.66 ± 0.08 Å3 |
| Cell temperature | 130 ± 2 K |
| Ambient diffraction temperature | 130 ± 2 K |
| Number of distinct elements | 6 |
| 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 | 0.0348 |
| Residual factor for significantly intense reflections | 0.025 |
| Weighted residual factors for significantly intense reflections | 0.0517 |
| Weighted residual factors for all reflections included in the refinement | 0.0541 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178913 (current) | 2016-03-22 | cif/4/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/11/42. |
4114236.cif |
| 171491 | 2015-12-13 | cif/ (antanas@echidna.ibt.lt) Removing surrounding qoutes ("'") from the _chemical_name_systematic tag values in multiple entries in range 4. |
4114236.cif |
| 120077 | 2014-07-12 | Adding DOIs to range 4/11 structures. | 4114236.cif |
| 67521 | 2012-09-27 | cif/ Adding structures of 4114236 via cif-deposit CGI script. |
4114236.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.