Crystallography Open Database

Information card for entry 4347553

Preview

Coordinates	4347553.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H30 I4 O2 P2 Sn
Calculated formula	C36 H30 I4 O2 P2 Sn
SMILES	[Sn](I)(I)(I)(I)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=P(c1ccccc1)(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	10.293 ± 0.005 Å
b	16.785 ± 0.005 Å
c	11.494 ± 0.005 Å
α	90°
β	109.527 ± 0.005°
γ	90°
Cell volume	1871.6 ± 1.3 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 2 K
Number of distinct elements	6
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.0294
Residual factor for significantly intense reflections	0.0249
Weighted residual factors for significantly intense reflections	0.0398
Weighted residual factors for all reflections included in the refinement	0.0418
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
232377 (current)	2019-11-23	cif/ Adding structures of 4347553 via cif-deposit CGI script.	4347553.cif