Crystallography Open Database

Information card for entry 7063634

Preview

Coordinates	7063634.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H36 Cl2 Pd S2
Calculated formula	C44 H36 Cl2 Pd S2
Title of publication	A trans-palladium dichloride complex with a bulky organosulfur ligand: syntheses, structure, and applications in catalytic alkylation of acetophenone and secondary alcohols using alcohols
Authors of publication	K., Gaatha; Kumar, Sunil; Sharma, Ashutosh; Bhuvanesh, Nattamai; Roy, Partha; Joshi, Hemant
Journal of publication	New Journal of Chemistry
Year of publication	2025
Journal volume	49
Journal issue	10
Pages of publication	3956 - 3968
a	21.9194 ± 0.0007 Å
b	6.1161 ± 0.0002 Å
c	26.6465 ± 0.0009 Å
α	90°
β	90.928 ± 0.002°
γ	90°
Cell volume	3571.8 ± 0.2 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0251
Residual factor for significantly intense reflections	0.0247
Weighted residual factors for significantly intense reflections	0.0672
Weighted residual factors for all reflections included in the refinement	0.0676
Goodness-of-fit parameter for all reflections included in the refinement	1.065
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
298983 (current)	2025-04-05	cif/ Updating files of 7063633, 7063634 Original log message: Adding full bibliography for 7063633--7063634.cif.	7063634.cif
297592	2025-02-05	cif/ Adding structures of 7063633, 7063634 via cif-deposit CGI script.	7063634.cif