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Information card for entry 4105535
Preview
Coordinates | 4105535.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C17 H14 N O P |
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Calculated formula | C17 H14 N O P |
SMILES | c1(ccccc1)P(c1ccccc1)c1cccc(=O)[nH]1 |
Title of publication | Ligand Self-Assembling through Complementary Hydrogen-Bonding in the Coordination Sphere of a Transition Metal Center: The 6-Diphenylphosphanylpyridin-2(1H)-one System |
Authors of publication | Urs Gellrich; Jing Huang; Wolfgang Seiche; Manfred Keller; Markus Meuwly; Bernhard Breit |
Journal of publication | Journal of the American Chemical Society |
Year of publication | 2011 |
Journal volume | 133 |
Pages of publication | 964 - 975 |
a | 8.4262 ± 0.0004 Å |
b | 9.0456 ± 0.0004 Å |
c | 10.2473 ± 0.0006 Å |
α | 70.43 ± 0.002° |
β | 75.028 ± 0.003° |
γ | 79.883 ± 0.003° |
Cell volume | 707.53 ± 0.06 Å3 |
Cell temperature | 100 ± 2 K |
Ambient diffraction temperature | 100 ± 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 | 0.0541 |
Residual factor for significantly intense reflections | 0.038 |
Weighted residual factors for significantly intense reflections | 0.0896 |
Weighted residual factors for all reflections included in the refinement | 0.0963 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.031 |
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/4105535.html
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Users of the data should acknowledge the original authors of the
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