Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4078799
Preview
Coordinates | 4078799.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C18 H36 Cl Si2 Ta |
---|---|
Calculated formula | C18 H36 Cl Si2 Ta |
SMILES | [Ta]1234(=C[Si](C)(C)C)(Cl)([c]5([c]1([c]2([c]3([c]45C)C)C)C)C)C[Si](C)(C)C |
Title of publication | Early‒Late Heterobimetallic Complexes with a Ta‒Ir Multiple Bond: Bimetallic Oxidative Additions of C‒H, N‒H, and O‒H Bonds |
Authors of publication | Oishi, Masataka; Kino, Masashi; Saso, Masayuki; Oshima, Masato; Suzuki, Hiroharu |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 13 |
Pages of publication | 4658 |
a | 8.5358 ± 0.0004 Å |
b | 18.1171 ± 0.0007 Å |
c | 15.3207 ± 0.0006 Å |
α | 90° |
β | 100.552 ± 0.0014° |
γ | 90° |
Cell volume | 2329.19 ± 0.17 Å3 |
Cell temperature | 123 ± 2 K |
Ambient diffraction temperature | 123 ± 2 K |
Number of distinct elements | 5 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/a 1 |
Hall space group symbol | -P 2yab |
Residual factor for all reflections | 0.0289 |
Residual factor for significantly intense reflections | 0.0252 |
Weighted residual factors for significantly intense reflections | 0.0561 |
Weighted residual factors for all reflections included in the refinement | 0.0581 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71069 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4078799.html
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.