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Information card for entry 1560201
Preview
Coordinates | 1560201.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C15 H39 Cl2 Cu N4 P3 |
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Calculated formula | C15 H39 Cl2 Cu N4 P3 |
SMILES | [Cu]123(Cl)[N](=P(C)(C)C)CC[N]3(CC[N]1=P(C)(C)C)CC[N]2=P(C)(C)C.[Cl-] |
Title of publication | Using internal electrostatic fields to manipulate the valence manifolds of copper complexes |
Authors of publication | Weberg, Alexander B.; McCollom, Samuel P.; Thierer, Laura M.; Gau, Michael R.; Carroll, Patrick J.; Tomson, Neil C. |
Journal of publication | Chemical Science |
Year of publication | 2021 |
Journal volume | 12 |
Journal issue | 12 |
Pages of publication | 4395 - 4404 |
a | 16.2129 ± 0.0007 Å |
b | 16.8046 ± 0.0007 Å |
c | 17.8201 ± 0.0008 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 4855.1 ± 0.4 Å3 |
Cell temperature | 100 K |
Ambient diffraction temperature | 100 K |
Number of distinct elements | 6 |
Space group number | 61 |
Hermann-Mauguin space group symbol | P b c a |
Hall space group symbol | -P 2ac 2ab |
Residual factor for all reflections | 0.0222 |
Residual factor for significantly intense reflections | 0.0197 |
Weighted residual factors for significantly intense reflections | 0.0516 |
Weighted residual factors for all reflections included in the refinement | 0.0531 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.056 |
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/1560201.html
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Users of the data should acknowledge the original authors of the
structural data.