Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7039965
Preview
Coordinates | 7039965.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C28 H33 Cl3 D I2 Mo N3 O2 P2 |
---|---|
Calculated formula | C28 H33 Cl3 D I2 Mo N3 O2 P2 |
Title of publication | Structural diversity of halocarbonyl molybdenum and tungsten PNP pincer complexes through ligand modifications. |
Authors of publication | Aguiar, Sara R M M de; Stöger, Berthold; Pittenauer, Ernst; Allmaier, Günter; Veiros, Luis F.; Kirchner, Karl |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 35 |
Pages of publication | 13834 - 13845 |
a | 11.5043 ± 0.0013 Å |
b | 15.2443 ± 0.0016 Å |
c | 19.982 ± 0.003 Å |
α | 90° |
β | 100.732 ± 0.004° |
γ | 90° |
Cell volume | 3443 ± 0.7 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 9 |
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 | 0.0514 |
Residual factor for significantly intense reflections | 0.0314 |
Weighted residual factors for significantly intense reflections | 0.0353 |
Weighted residual factors for all reflections included in the refinement | 0.0376 |
Goodness-of-fit parameter for significantly intense reflections | 1.66 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.53 |
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/7039965.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.