Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 7037614
Preview
Coordinates | 7037614.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C26 H44 K2 N2 O2 |
---|---|
Calculated formula | C26 H44 K2 N2 O2 |
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 | 6.1733 ± 0.0004 Å |
b | 10.6514 ± 0.0007 Å |
c | 10.9928 ± 0.0007 Å |
α | 81.269 ± 0.005° |
β | 88.887 ± 0.005° |
γ | 76.025 ± 0.005° |
Cell volume | 693.19 ± 0.08 Å3 |
Cell temperature | 123.3 K |
Ambient diffraction temperature | 123.3 K |
Number of distinct elements | 5 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.0453 |
Residual factor for significantly intense reflections | 0.0387 |
Weighted residual factors for significantly intense reflections | 0.098 |
Weighted residual factors for all reflections included in the refinement | 0.1028 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.0497 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7037614.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.