Crystallography Open Database

Information card for entry 7063633

Preview

Coordinates	7063633.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H18 S
Calculated formula	C22 H18 S
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	7.7139 ± 0.0005 Å
b	15.7197 ± 0.0009 Å
c	26.6782 ± 0.0016 Å
α	90°
β	90°
γ	90°
Cell volume	3235 ± 0.3 Å³
Cell temperature	110 K
Ambient diffraction temperature	110 K
Number of distinct elements	3
Space group number	73
Hermann-Mauguin space group symbol	I b c a
Hall space group symbol	-I 2b 2c
Residual factor for all reflections	0.0608
Residual factor for significantly intense reflections	0.0445
Weighted residual factors for significantly intense reflections	0.1107
Weighted residual factors for all reflections included in the refinement	0.1202
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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
298983 (current)	2025-04-05	cif/ Updating files of 7063633, 7063634 Original log message: Adding full bibliography for 7063633--7063634.cif.	7063633.cif
297592	2025-02-05	cif/ Adding structures of 7063633, 7063634 via cif-deposit CGI script.	7063633.cif