Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037611
Preview
Coordinates | 7037611.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C36 H74 N8 Na2 |
---|---|
Calculated formula | C36 H74 N8 Na2 |
SMILES | [Na]123([N](C)(C)CC[N]1(C)CC[N]2(C)C)[N]1(C=CC(C=C1)C(C)(C)C)[Na]12([N](C)(C)CC[N]1(C)CC[N]2(C)C)[N]13C=CC(C=C1)C(C)(C)C |
Title of publication | Accessible heavier s-block dihydropyridines: structural elucidation and reactivity of isolable molecular hydride sources. |
Authors of publication | Orr, Samantha A.; Kennedy, Alan R.; Liggat, John J.; McLellan, Ross; Mulvey, Robert E.; Robertson, Stuart D. |
Journal of publication | Dalton transactions (Cambridge, England : 2003) |
Year of publication | 2016 |
Journal volume | 45 |
Journal issue | 14 |
Pages of publication | 6234 - 6240 |
a | 9.9788 ± 0.0009 Å |
b | 13.1357 ± 0.001 Å |
c | 16.5894 ± 0.0015 Å |
α | 90° |
β | 104.163 ± 0.009° |
γ | 90° |
Cell volume | 2108.4 ± 0.3 Å3 |
Cell temperature | 123.3 K |
Ambient diffraction temperature | 123.3 K |
Number of distinct elements | 4 |
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 | 0.0863 |
Residual factor for significantly intense reflections | 0.0576 |
Weighted residual factors for significantly intense reflections | 0.1248 |
Weighted residual factors for all reflections included in the refinement | 0.1428 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0471 |
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/7037611.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.