Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4079938
Preview
Coordinates | 4079938.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H30 Mo N2 O3 P2 |
---|---|
Calculated formula | C36 H30 Mo N2 O3 P2 |
SMILES | [Mo]1([P](c2ccccc2)(c2ccccc2)CC[P]1(c1ccccc1)c1ccccc1)(C#[N]c1c(cccc1)N)(C#[O])(C#[O])C#[O] |
Title of publication | Metal-Template-Controlled Stabilization of β-Functionalized Isocyanides |
Authors of publication | Dumke, A. Carolin; Pape, Tania; Kösters, Jutta; Feldmann, Kai-Oliver; Schulte to Brinke, Christian; Hahn, F. Ekkehardt |
Journal of publication | Organometallics |
Year of publication | 2013 |
Journal volume | 32 |
Journal issue | 1 |
Pages of publication | 289 |
a | 16.81 ± 0.003 Å |
b | 16.578 ± 0.003 Å |
c | 22.578 ± 0.005 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 6292 ± 2 Å3 |
Cell temperature | 153 ± 2 K |
Ambient diffraction temperature | 153 ± 2 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0531 |
Residual factor for significantly intense reflections | 0.0312 |
Weighted residual factors for significantly intense reflections | 0.0607 |
Weighted residual factors for all reflections included in the refinement | 0.0653 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.96 |
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/4079938.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.