Crystallography Open Database

Information card for entry 7240551

Preview

Coordinates	7240551.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C38 H34 Cl4 I2 P2 Pt
Calculated formula	C38 H34 Cl4 I2 P2 Pt
SMILES	[Pt](Cl)(Cl)([Cl-])[Cl-].IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1.IC[P+](c1ccccc1)(c1ccccc1)c1ccccc1
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	18.3265 ± 0.0006 Å
b	13.069 ± 0.0003 Å
c	18.5735 ± 0.0006 Å
α	90°
β	119.538 ± 0.004°
γ	90°
Cell volume	3870.3 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
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	0.0534
Residual factor for significantly intense reflections	0.0456
Weighted residual factors for significantly intense reflections	0.0944
Weighted residual factors for all reflections included in the refinement	0.0976
Goodness-of-fit parameter for all reflections included in the refinement	1.182
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.	7240551.cif