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Information card for entry 2203932
Preview
Coordinates | 2203932.cif |
---|---|
Structure factors | 2203932.hkl |
Original IUCr paper | HTML |
Chemical name | Diaquatris(nicotinato-κO)bis(1,10-phenanthroline-κ^2^N,N')praseodymium(III) trihydrate |
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Formula | C42 H38 N7 O11 Pr |
Calculated formula | C42 H38 N7 O11 Pr |
SMILES | [Pr]12([n]3cccc4ccc5ccc[n]1c5c34)([n]1cccc3ccc4ccc[n]2c4c13)(OC(=O)c1cccnc1)(OC(=O)c1cnccc1)(OC(=O)c1cccnc1)([OH2])[OH2].O.O.O |
Title of publication | Diaquatris(nicotinato-κ<i>O</i>)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')praseodymium(III) trihydrate |
Authors of publication | Yue, Zheng-Yu; Jin, Hui-Jie; Yan, Peng-Fei; Gao, Po |
Journal of publication | Acta Crystallographica Section E |
Year of publication | 2004 |
Journal volume | 60 |
Journal issue | 7 |
Pages of publication | m890 - m892 |
a | 9.058 ± 0.003 Å |
b | 12.922 ± 0.005 Å |
c | 17.826 ± 0.006 Å |
α | 84.966 ± 0.005° |
β | 80.597 ± 0.005° |
γ | 84.398 ± 0.005° |
Cell volume | 2043.1 ± 1.2 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 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 | 0.0435 |
Residual factor for significantly intense reflections | 0.0315 |
Weighted residual factors for significantly intense reflections | 0.0612 |
Weighted residual factors for all reflections included in the refinement | 0.0646 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.026 |
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/2203932.html
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Users of the data should acknowledge the original authors of the
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