Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4075529
Preview
Coordinates | 4075529.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | [RuCp(IPri)(=C2(CH3)2C2(CH2)3)]PF6.CH2Cl2 |
---|---|
Formula | C42 H55 Cl2 F6 N2 P Ru |
Calculated formula | C42 H54.686 Cl2.12 F6 N2 P Ru |
Title of publication | Formation of a Half-Sandwich Triscarbene Ruthenium Complex: Oxidative Coupling of 2,7-Nonadiyne Mediated by [RuCp(IPri)(CH3CN)2]+(IPri= 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene) |
Authors of publication | Becker, Eva; Stingl, Verena; Mereiter, Kurt; Kirchner, Karl |
Journal of publication | Organometallics |
Year of publication | 2006 |
Journal volume | 25 |
Journal issue | 17 |
Pages of publication | 4166 |
a | 12.6022 ± 0.0006 Å |
b | 25.3077 ± 0.0012 Å |
c | 13.293 ± 0.0006 Å |
α | 90° |
β | 100.426 ± 0.001° |
γ | 90° |
Cell volume | 4169.6 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/n 1 |
Hall space group symbol | -P 2yn |
Residual factor for all reflections | 0.0339 |
Residual factor for significantly intense reflections | 0.0304 |
Weighted residual factors for significantly intense reflections | 0.076 |
Weighted residual factors for all reflections included in the refinement | 0.0783 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.036 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/4075529.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.