Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2226090
Preview
Coordinates | 2226090.cif |
---|---|
Structure factors | 2226090.hkl |
Original IUCr paper | HTML |
Chemical name | Bis[3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one- κ^2^<i>N</i>^2'^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>') praseodymium(III) |
---|---|
Formula | C20 H24 N7 O11 Pr |
Calculated formula | C20 H24 N7 O11 Pr |
SMILES | [Pr]12345([n]6c(cccc6)C(C=CN(C)C)=[O]1)([n]1c(cccc1)C(C=CN(C)C)=[O]2)([O]=N(=O)O3)(ON(=[O]4)=O)[O]=N(O5)=O |
Title of publication | Bis[3-dimethylamino-1-(2-pyridyl)prop-2-en-1-one-κ^2^<i>N</i>^2'^,<i>O</i>]tris(nitrato-κ^2^<i>O</i>,<i>O</i>')praseodymium(III) |
Authors of publication | Hu, Da-Hua |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2010 |
Journal volume | 66 |
Journal issue | 6 |
Pages of publication | m709 |
a | 10.2949 ± 0.001 Å |
b | 11.2439 ± 0.0011 Å |
c | 11.7588 ± 0.0012 Å |
α | 92.378 ± 0.002° |
β | 108.101 ± 0.002° |
γ | 96.274 ± 0.002° |
Cell volume | 1281.9 ± 0.2 Å3 |
Cell temperature | 291 ± 2 K |
Ambient diffraction temperature | 291 ± 2 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 | 0.0469 |
Residual factor for significantly intense reflections | 0.0436 |
Weighted residual factors for significantly intense reflections | 0.1075 |
Weighted residual factors for all reflections included in the refinement | 0.1095 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.054 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/2226090.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.