Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079212
Preview
Coordinates | 4079212.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C87 H80 Mo2 P4 Si2 |
---|---|
Calculated formula | C87 H80 Mo2 P4 Si2 |
Title of publication | Synthesis, Redox Chemistry, and Electronic Structure of the Butadiynyl and Hexatriynyl Complexes [Mo{(C≡C)nC≡CR}(L2)(η-C7H7)]z+(n= 1, 2;z= 0, 1; R = SiMe3, H; L2= 2,2′-bipyridine, Ph2PCH2CH2PPh2) |
Authors of publication | Roberts, Hannah N.; Brown, Neil J.; Edge, Ruth; Fitzgerald, Emma C.; Ta, Yien T.; Collison, David; Low, Paul J.; Whiteley, Mark W. |
Journal of publication | Organometallics |
Year of publication | 2012 |
Journal volume | 31 |
Journal issue | 17 |
Pages of publication | 6322 |
a | 13.161 ± 0.005 Å |
b | 16.167 ± 0.005 Å |
c | 17.75 ± 0.005 Å |
α | 90 ± 0.005° |
β | 99.998 ± 0.005° |
γ | 90 ± 0.005° |
Cell volume | 3719 ± 2 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0583 |
Residual factor for significantly intense reflections | 0.0329 |
Weighted residual factors for significantly intense reflections | 0.0734 |
Weighted residual factors for all reflections included in the refinement | 0.0786 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.924 |
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/4079212.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.