Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7716133
Preview
Coordinates | 7716133.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C32 H29 Fe I O P2 |
---|---|
Calculated formula | C32 H29 Fe I O P2 |
Title of publication | Amine-catalyzed substitution in CpFe(CO)<sub>2</sub>I by phosphine and bisphosphine ligands. |
Authors of publication | Kosińska, Aneta; Jamroz, Daria; Rybarczyk-Pirek, Agnieszka J; Wojtulewski, Sławomir; Palusiak, Marcin; Zakrzewski, Janusz; Rudolf, Bogna |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2024 |
a | 9.7064 ± 0.0002 Å |
b | 14.0307 ± 0.0002 Å |
c | 23.7668 ± 0.0005 Å |
α | 90° |
β | 118.778 ± 0.003° |
γ | 90° |
Cell volume | 2836.98 ± 0.12 Å3 |
Cell temperature | 100.1 ± 0.9 K |
Ambient diffraction temperature | 100.1 ± 0.9 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 | 0.0238 |
Residual factor for significantly intense reflections | 0.0208 |
Weighted residual factors for significantly intense reflections | 0.0499 |
Weighted residual factors for all reflections included in the refinement | 0.0517 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.014 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 1.54184 Å |
Diffraction radiation type | CuKα |
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/7716133.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.