Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4109213
Preview
| Coordinates | 4109213.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C38 H42 B9 Cl Os P2 |
|---|---|
| Calculated formula | C38 H42 B9 Cl Os P2 |
| SMILES | [OsH]123(Cl)([P](c4ccccc4)(c4ccccc4)c4ccccc4)([P](c4ccccc4)(c4ccccc4)c4ccccc4)[B]456([BH]789[BH]%10%11%12[BH]%13%14%15[BH]%16%17%10[BH]%107%11[BH]%17([CH]%14%16[B]26%15([BH]48%12%13)[H]3)[CH]59%10)[H]1 |
| Title of publication | Stable exo-nido-Metallacarboranes (M = OsIV) that Incorporatemeta-Carborane-Based Dicarbollide Ligands |
| Authors of publication | Elena V. Balagurova; Dmitri N. Cheredilin; Galina D. Kolomnikova; Oleg L. Tok; Fedor M. Dolgushin; Alexander I. Yanovsky; Igor T. Chizhevsky |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2007 |
| Journal volume | 129 |
| Pages of publication | 3745 - 3753 |
| a | 11.216 ± 0.004 Å |
| b | 12.711 ± 0.006 Å |
| c | 14.318 ± 0.005 Å |
| α | 95.62 ± 0.03° |
| β | 106.15 ± 0.03° |
| γ | 91.1 ± 0.03° |
| Cell volume | 1949 ± 1.4 Å3 |
| Cell temperature | 193 ± 2 K |
| Ambient diffraction temperature | 193 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0623 |
| Residual factor for significantly intense reflections | 0.0391 |
| Weighted residual factors for significantly intense reflections | 0.086 |
| Weighted residual factors for all reflections included in the refinement | 0.0908 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.02 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 211332 (current) | 2018-10-05 | cif/ Fixing enumeration values for CIF data items _atom_sites_solution_* using cif_fix_values. Data item relocations and exclusion of CIF comment lines might have occurred due to the usage of cif_filter. |
4109213.cif |
| 178838 | 2016-03-21 | cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/92. |
4109213.cif |
| 120076 | 2014-07-11 | Adding DOIs to range 4/10 structures. | 4109213.cif |
| 57968 | 2012-05-23 | cif/ Adding structures of 4109213 via cif-deposit CGI script. |
4109213.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.