Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4324989
Preview
Coordinates | 4324989.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C6 H14 Cl5 Mo N2 O2 |
---|---|
Calculated formula | C6 H14 Cl5 Mo N2 O2 |
SMILES | [Mo](Cl)(Cl)(Cl)(Cl)(=O)[O]=CN(C)C.ClC=[N+](C)C |
Title of publication | C-N Bond-Forming Self-Condensation of Amide Promoted by MoCl5 at Room Temperature |
Authors of publication | Sara Dolci; Fabio Marchetti; Guido Pampaloni; Stefano Zacchini |
Journal of publication | Inorganic Chemistry |
Year of publication | 2011 |
Journal volume | 50 |
Pages of publication | 3846 - 3848 |
a | 8.7379 ± 0.0017 Å |
b | 8.912 ± 0.003 Å |
c | 11.4 ± 0.002 Å |
α | 97.499 ± 0.003° |
β | 102.981 ± 0.002° |
γ | 119.087 ± 0.002° |
Cell volume | 725.4 ± 0.3 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0431 |
Residual factor for significantly intense reflections | 0.0421 |
Weighted residual factors for significantly intense reflections | 0.1126 |
Weighted residual factors for all reflections included in the refinement | 0.1134 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.132 |
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/4324989.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.