Crystallography Open Database

Information card for entry 7710980

Preview

Coordinates	7710980.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H22 Br O P S2 Sn
Calculated formula	C22 H22 Br O P S2 Sn
SMILES	[Sn]1(Br)(SC(=S)P(=[O]1)(Cc1ccccc1)Cc1ccccc1)(c1ccccc1)C
Title of publication	Cytotoxic Effects of Halogenated Tin Phosphinoyldithioformate Complexes Against Several Cancer Cell Lines
Authors of publication	Balogová, Michaela; Sharma, Shubham; Cherek, Paulina; Ólafsson, Sigurjon N.; Jónsdóttir, Sigríður; Ogmundsdottir, Helga M.; Damodaran, Krishna K.
Journal of publication	Dalton Transactions
Year of publication	2022
a	10.8987 ± 0.0007 Å
b	14.6186 ± 0.0011 Å
c	14.7512 ± 0.001 Å
α	90°
β	91.544 ± 0.002°
γ	90°
Cell volume	2349.4 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0363
Residual factor for significantly intense reflections	0.0267
Weighted residual factors for significantly intense reflections	0.0642
Weighted residual factors for all reflections included in the refinement	0.0686
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
277252 (current)	2022-08-16	cif/ Adding structures of 7710979, 7710980, 7710981 via cif-deposit CGI script.	7710980.cif