Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4082242
Preview
| Coordinates | 4082242.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | C30 H53 Ir O2 P2 |
|---|---|
| Calculated formula | C30 H53 Ir O2 P2 |
| Title of publication | Formation of Iridium(III) Allene Complexes via Isomerization of Internal Alkynes |
| Authors of publication | Phadke, Neha; Findlater, Michael |
| Journal of publication | Organometallics |
| Year of publication | 2014 |
| Journal volume | 33 |
| Journal issue | 1 |
| Pages of publication | 16 |
| a | 8.0369 ± 0.0003 Å |
| b | 10.6149 ± 0.0004 Å |
| c | 19.4286 ± 0.0007 Å |
| α | 92.411 ± 0.002° |
| β | 91.896 ± 0.002° |
| γ | 109.056 ± 0.002° |
| Cell volume | 1563.33 ± 0.1 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0355 |
| Residual factor for significantly intense reflections | 0.0337 |
| Weighted residual factors for significantly intense reflections | 0.0822 |
| Weighted residual factors for all reflections included in the refinement | 0.0832 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.099 |
| Diffraction radiation wavelength | 1.54178 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | Yes |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178711 (current) | 2016-03-21 | cif/4/08/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/08/22. |
4082242.cif |
| 94190 | 2014-01-22 | cif/ Adding structures of 4082242 via cif-deposit CGI script. |
4082242.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.