Crystallography Open Database

Information card for entry 4347554

Preview

Coordinates	4347554.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 I4 N2 O2 Sn
Calculated formula	C10 H10 I4 N2 O2 Sn
SMILES	[Sn](I)(I)(I)(I)([O]=n1ccccc1)[O]=n1ccccc1
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	7.393 ± 0.005 Å
b	7.96 ± 0.005 Å
c	17.606 ± 0.005 Å
α	97.297 ± 0.005°
β	94.306 ± 0.005°
γ	117.289 ± 0.005°
Cell volume	902.8 ± 0.9 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.044
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0513
Weighted residual factors for all reflections included in the refinement	0.058
Goodness-of-fit parameter for all reflections included in the refinement	1.023
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
232378 (current)	2019-11-23	cif/ Adding structures of 4347554 via cif-deposit CGI script.	4347554.cif