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Information card for entry 4504409
Preview
Coordinates | 4504409.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | C53 H49 Cl5 Cu2 N12 S4 |
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Calculated formula | C53 H49 Cl5 Cu2 N12 S4 |
Title of publication | Crystal Packing in Equilibrating Systems: A Single Crystal Containing Three Isomers of CuCl(1-pyridin-2-yl-3-p-tolyl-thiourea)2 |
Authors of publication | Lenthall, Joseph T.; Anderson, Kirsty M.; Smith, Stephen J.; Steed, Jonathan W. |
Journal of publication | Crystal Growth & Design |
Year of publication | 2007 |
Journal volume | 7 |
Journal issue | 9 |
Pages of publication | 1858 |
a | 14.237 ± 0.003 Å |
b | 14.275 ± 0.002 Å |
c | 14.525 ± 0.003 Å |
α | 89.983 ± 0.014° |
β | 78.98 ± 0.016° |
γ | 78.002 ± 0.012° |
Cell volume | 2831.8 ± 0.9 Å3 |
Cell temperature | 0 ± 2 K |
Ambient diffraction temperature | 0 ± 2 K |
Number of distinct elements | 6 |
Space group number | 2 |
Hermann-Mauguin space group symbol | P -1 |
Hall space group symbol | -P 1 |
Residual factor for all reflections | 0.2357 |
Residual factor for significantly intense reflections | 0.1777 |
Weighted residual factors for significantly intense reflections | 0.4275 |
Weighted residual factors for all reflections included in the refinement | 0.4587 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.602 |
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/4504409.html
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