Crystallography Open Database

Information card for entry 7710235

Preview

Coordinates	7710235.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C52 H42 Hg2 N4 P2 S2
Calculated formula	C52 H42 Hg2 N4 P2 S2
Title of publication	Synthesis, structure and reactivity with phosphines of Hg(ii) ortho-cyano-aminothiophenolate complexes formed via C–S bond cleavage and dehydrogenation of 2-aminobenzothiazoles
Authors of publication	Al-Jibori, Subhi A.; Irzoqi, Ahmed A.; Al-Janabi, Ahmed S. M.; Al-Nassiry, Amenah I. A.; Basak-Modi, Sucharita; Ghosh, Shishir; Wagner, Christoph; Hogarth, Graeme
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.5001 ± 0.0005 Å
b	11.3813 ± 0.0006 Å
c	12.3018 ± 0.0006 Å
α	111.211 ± 0.004°
β	92.649 ± 0.004°
γ	104.909 ± 0.004°
Cell volume	1183.85 ± 0.12 Å³
Cell temperature	213 K
Ambient diffraction temperature	213 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0374
Residual factor for significantly intense reflections	0.0284
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	1.02
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
275311 (current)	2022-05-11	cif/ Adding structures of 7710235, 7710236, 7710237, 7710238, 7710239 via cif-deposit CGI script.	7710235.cif