Crystallography Open Database

Information card for entry 7710749

Preview

Coordinates	7710749.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	1,1,2,2-tetra(2-thiopyridyl)ethane
Formula	C22 H16 N4 S4
Calculated formula	C22 H16 N4 S4
Title of publication	Synthesis, Characterisation and Reactivity of Group 2 Complexes with a Thiopyridyl Scorpionate Ligand
Authors of publication	Stevens, Matthew Philip; Spray, Emily; Vitorica-Yrzebal, Inigo; Singh, Kuldip; Timmermann, Vanessa M.; Sotorrios, Lia; Macgregor, Stuart Alan; Ortu, Fabrizio
Journal of publication	Dalton Transactions
Year of publication	2022
a	9.9386 ± 0.0009 Å
b	10.304 ± 0.0007 Å
c	11.3175 ± 0.001 Å
α	90°
β	114.517 ± 0.01°
γ	90°
Cell volume	1054.5 ± 0.17 Å³
Cell temperature	150 K
Ambient diffraction temperature	150 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.13
Residual factor for significantly intense reflections	0.0661
Weighted residual factors for significantly intense reflections	0.1138
Weighted residual factors for all reflections included in the refinement	0.138
Goodness-of-fit parameter for all reflections included in the refinement	1.083
Diffraction radiation probe	x-ray
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
276839 (current)	2022-07-23	cif/ Adding structures of 7710749, 7710750, 7710751, 7710752, 7710753, 7710754, 7710755, 7710756 via cif-deposit CGI script.	7710749.cif