Crystallography Open Database

Information card for entry 7240550

Preview

Coordinates	7240550.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H17 F3 I O3 P S
Calculated formula	C20 H17 F3 I O3 P S
SMILES	IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.S(=O)(=O)([O-])C(F)(F)F
Title of publication	Tetrachloroplatinate(II) Anion as a Square-planar Tecton for Crystal Engineering Involving Halogen Bonding
Authors of publication	Suslonov, Vitalii V.; Eliseeva, Anastasiya A.; Novikov, Alexander S.; Ivanov, Daniil M.; Dubovtsev, Alexey Yu.; Bokach, Nadezhda A.; Kukushkin, Vadim Yu.
Journal of publication	CrystEngComm
Year of publication	2020
a	10.4024 ± 0.0003 Å
b	15.8557 ± 0.0005 Å
c	12.7928 ± 0.0004 Å
α	90°
β	97.894 ± 0.002°
γ	90°
Cell volume	2090.02 ± 0.11 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.032
Residual factor for significantly intense reflections	0.0258
Weighted residual factors for significantly intense reflections	0.0562
Weighted residual factors for all reflections included in the refinement	0.0591
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
252160 (current)	2020-05-19	cif/ Adding structures of 7240550, 7240551, 7240552 via cif-deposit CGI script.	7240550.cif