Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7050707
Preview
Coordinates | 7050707.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C70 H78 Mo N6 O4 |
---|---|
Calculated formula | C70 H78 Mo N6 O4 |
SMILES | [Mo]123(Oc4c5cc(cc4Cc4c(O1)c(cc(c4)C(C)(C)C)Cc1c(O2)c(cc(c1)C(C)(C)C)Cc1c(O3)c(cc(c1)C(C)(C)C)C5)C(C)(C)C)(=Nc1ccccc1CCc1ccccc1N=Cc1ccccn1)[N]#CC.N#CC.N#CC |
Title of publication | A novel ligand family based on bulky metallocalix[4 and 8]arene substituentsFirst presented at the 221st ACS National Meeting, San Diego, 1‒5th April 2001. |
Authors of publication | Gibson, Vernon C.; Redshaw, Carl; Elsegood, Mark R. J. |
Journal of publication | New Journal of Chemistry |
Year of publication | 2002 |
Journal volume | 26 |
Journal issue | 1 |
Pages of publication | 16 |
a | 14.142 ± 0.002 Å |
b | 21.946 ± 0.003 Å |
c | 20.008 ± 0.003 Å |
α | 90° |
β | 90.146 ± 0.003° |
γ | 90° |
Cell volume | 6209.7 ± 1.5 Å3 |
Cell temperature | 160 ± 2 K |
Ambient diffraction temperature | 160 ± 2 K |
Number of distinct elements | 5 |
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 | 0.1929 |
Residual factor for significantly intense reflections | 0.0926 |
Weighted residual factors for significantly intense reflections | 0.1885 |
Weighted residual factors for all reflections included in the refinement | 0.2341 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.989 |
Diffraction radiation wavelength | 0.6923 Å |
Diffraction radiation type | synchrotron |
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/7050707.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.