Crystallography Open Database

Information card for entry 7061234

Preview

Coordinates	7061234.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H17 Cl N4 Pd S
Calculated formula	C16 H17 Cl N4 Pd S
SMILES	c12[Pd]([N](c3ccccc3)=Nc2cccc1)([S]=C1N(CCN1)C)Cl
Title of publication	Heterocyclic-2-thione derivatives of metals incorporating cyclopalladated azobenzenes of variable nuclearity and N,S-bridged 1D polymer of [bis(pyridine-2-thiolato)mercury(ii)]
Authors of publication	Lobana, Tarlok S.; Sandhu, Amanpreet K.; Hundal, Geeta; Jasinski, Jerry P.
Journal of publication	New Journal of Chemistry
Year of publication	2022
Journal volume	46
Journal issue	6
Pages of publication	2722 - 2729
a	7.3138 ± 0.0002 Å
b	11.8378 ± 0.0003 Å
c	19.4817 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	1686.71 ± 0.08 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	6
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0421
Residual factor for significantly intense reflections	0.0296
Weighted residual factors for significantly intense reflections	0.0629
Weighted residual factors for all reflections included in the refinement	0.0685
Goodness-of-fit parameter for all reflections included in the refinement	0.978
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
273389 (current)	2022-03-05	cif/ Updating files of 7061231, 7061232, 7061233, 7061234, 7061235 Original log message: Adding full bibliography for 7061231--7061235.cif.	7061234.cif
272179	2022-01-21	cif/ Adding structures of 7061231, 7061232, 7061233, 7061234, 7061235 via cif-deposit CGI script.	7061234.cif