Crystallography Open Database

Information card for entry 4347555

Preview

Coordinates	4347555.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Compound X
Formula	C24 H20 I4 O2 S2 Sn
Calculated formula	C24 H20 I4 O2 S2 Sn
SMILES	[Sn](I)(I)(I)(I)([O]=S(c1ccccc1)c1ccccc1)[O]=S(c1ccccc1)c1ccccc1
Title of publication	Influence of π-Iodide Intermolecular Interactions on Electronic Properties of Tin(IV) Iodide Semiconducting Complexes.
Authors of publication	Wlaźlak, Ewelina; Macyk, Wojciech; Nitek, Wojciech; Szaciłowski, Konrad
Journal of publication	Inorganic chemistry
Year of publication	2016
Journal volume	55
Journal issue	12
Pages of publication	5935 - 5945
a	21.11 ± 0.0001 Å
b	9.056 ± 0.0002 Å
c	15.313 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2927.42 ± 0.08 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.0372
Residual factor for significantly intense reflections	0.0366
Weighted residual factors for significantly intense reflections	0.0963
Weighted residual factors for all reflections included in the refinement	0.0971
Goodness-of-fit parameter for significantly intense reflections	97.481
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
232379 (current)	2019-11-23	cif/ Adding structures of 4347555 via cif-deposit CGI script.	4347555.cif