Crystallography Open Database

Information card for entry 7060163

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Coordinates	7060163.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H23 Cl N4 Pd S
Calculated formula	C22 H23 Cl N4 Pd S
Title of publication	PdII- and PtII-mediated coupling of aryl isocyanides with N-heterocyclic thiones
Authors of publication	Popov, Roman A.; Mikherdov, Alexander S.; Novikov, Alexander S.; Myznikov, Leonid V.; Boyarskiy, Vadim P.
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	4
Pages of publication	1785 - 1789
a	9.9266 ± 0.0002 Å
b	12.2058 ± 0.0003 Å
c	18.2152 ± 0.0005 Å
α	90°
β	90.298 ± 0.002°
γ	90°
Cell volume	2206.96 ± 0.09 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0599
Weighted residual factors for all reflections included in the refinement	0.0619
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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