Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7005051
Preview
Coordinates | 7005051.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C40 H35 Cl2 N O P2 Pt Si |
---|---|
Calculated formula | C40 H35 Cl2 N O P2 Pt Si |
SMILES | [Pt]1(Cl)(Cl)[P](c2cccc3[Si](c4c(Oc23)c([P]1(c1ccccc1)c1ccccc1)ccc4)(C)C)(c1ccccc1)c1ccccc1.N#CC |
Title of publication | Platinum-catalyzed hydroformylation of terminal and internal octenes. |
Authors of publication | van Duren, Ruben; van der Vlugt, Jarl Ivar; Kooijman, Huub; Spek, Anthony L.; Vogt, Dieter |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2007 |
Journal issue | 10 |
Pages of publication | 1053 - 1059 |
a | 19.2417 ± 0.001 Å |
b | 18.0033 ± 0.0012 Å |
c | 21.9848 ± 0.0014 Å |
α | 90° |
β | 105.376 ± 0.01° |
γ | 90° |
Cell volume | 7343.2 ± 0.9 Å3 |
Cell temperature | 150 K |
Ambient diffraction temperature | 150 K |
Number of distinct elements | 8 |
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 | 0.0384 |
Residual factor for significantly intense reflections | 0.0285 |
Weighted residual factors for significantly intense reflections | 0.0675 |
Weighted residual factors for all reflections included in the refinement | 0.0719 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.032 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 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/7005051.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.