Crystallography Open Database

Information card for entry 4124607

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Coordinates	4124607.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Tin Iodide tris(dimethylsulfoxide)
Formula	C6 H18 I2 O3 S3 Sn
Calculated formula	C6 H18 I2 O3 S3 Sn
SMILES	[Sn]([O]=S(C)C)([O]=S(C)C)[O]=S(C)C.[I-].[I-]
Title of publication	Solvent-Mediated Crystallization of CH3NH3SnI3 Films for Heterojunction Depleted Perovskite Solar Cells.
Authors of publication	Hao, Feng; Stoumpos, Constantinos C.; Guo, Peijun; Zhou, Nanjia; Marks, Tobin J.; Chang, Robert P. H.; Kanatzidis, Mercouri G.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Journal volume	137
Journal issue	35
Pages of publication	11445 - 11452
a	21.992 ± 0.001 Å
b	10.7497 ± 0.0006 Å
c	16.0302 ± 0.0007 Å
α	90°
β	111.838 ± 0.003°
γ	90°
Cell volume	3517.7 ± 0.3 Å³
Cell temperature	250 ± 2 K
Ambient diffraction temperature	250 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0423
Residual factor for significantly intense reflections	0.027
Weighted residual factors for significantly intense reflections	0.0547
Weighted residual factors for all reflections included in the refinement	0.0587
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
159601 (current)	2015-10-05	cif/ Adding structures of 4124607 via cif-deposit CGI script.	4124607.cif