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Information card for entry 4120025
Preview
Coordinates | 4120025.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C46 H83 K N2 O7 Pr Si3 |
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Calculated formula | C46 H83 K N2 O7 Pr Si3 |
SMILES | [Pr]123456789%10%11%12([c]%13([Si](C)(C)C)[cH]1[cH]2[cH]3[cH]4%13)([c]1([Si](C)(C)C)[cH]5[cH]6[cH]7[cH]81)[c]1([Si](C)(C)C)[cH]9[cH]%10[cH]%11[cH]%121.[K]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9.O1CCCC1 |
Title of publication | Completing the Series of +2 Ions for the Lanthanide Elements: Synthesis of Molecular Complexes of Pr2+, Gd2+, Tb2+, and Lu2+ |
Authors of publication | Matthew R. MacDonald; Jefferson E. Bates; Joseph W. Ziller; Filipp Furche; William J. Evans |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2013 |
Journal volume | 135 |
Pages of publication | 9857 - 9868 |
a | 15.9987 ± 0.0009 Å |
b | 24.4707 ± 0.0014 Å |
c | 13.7603 ± 0.0008 Å |
α | 90° |
β | 90.8674 ± 0.0006° |
γ | 90° |
Cell volume | 5386.5 ± 0.5 Å3 |
Cell temperature | 143 ± 2 K |
Ambient diffraction temperature | 143 ± 2 K |
Number of distinct elements | 7 |
Space group number | 14 |
Hermann-Mauguin space group symbol | P 1 21/c 1 |
Hall space group symbol | -P 2ybc |
Residual factor for all reflections | 0.0269 |
Residual factor for significantly intense reflections | 0.0227 |
Weighted residual factors for significantly intense reflections | 0.0543 |
Weighted residual factors for all reflections included in the refinement | 0.0564 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.024 |
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/4120025.html
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Users of the data should acknowledge the original authors of the
structural data.