Crystallography Open Database

Information card for entry 7060938

Preview

Coordinates	7060938.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H9 Au2 Cl3 N4 S
Calculated formula	C8 H9 Au2 Cl3 N4 S
Title of publication	Synthesis, structures, and DFT analysis of gold complexes containing a thiosemicarbazone ligand
Authors of publication	Mageed, Ahmed Hassoon; Al-Ameed, Karrar
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	39
Pages of publication	18433 - 18442
a	7.0766 ± 0.0002 Å
b	12.4355 ± 0.0003 Å
c	8.0835 ± 0.0004 Å
α	90°
β	90.355 ± 0.004°
γ	90°
Cell volume	711.34 ± 0.04 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0789
Residual factor for significantly intense reflections	0.0581
Weighted residual factors for significantly intense reflections	0.1311
Weighted residual factors for all reflections included in the refinement	0.1446
Goodness-of-fit parameter for all reflections included in the refinement	1
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7060938.html