Crystallography Open Database

Information card for entry 1540702

Preview

Coordinates	1540702.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	In(DMSO)3Cl3
Chemical name	trichlorotris(dimethyl sulfoxide)indium(III)
Formula	C6 H18 Cl3 In O3 S3
Calculated formula	C6 H18 Cl3 In O3 S3
SMILES	CS(C)=[O][In]([O]=S(C)C)([O]=S(C)C)(Cl)(Cl)Cl
Title of publication	Molecular-ink route to 13.0% efficient low-bandgap CuIn(S,Se)2and 14.7% efficient Cu(In,Ga)(S,Se)2solar cells
Authors of publication	Uhl, A. R.; Katahara, J. K.; Hillhouse, H. W.
Journal of publication	Energy Environ. Sci.
Year of publication	2016
Journal volume	9
Journal issue	1
Pages of publication	130
a	7.7728 ± 0.0004 Å
b	8.7954 ± 0.0006 Å
c	13.4794 ± 0.0007 Å
α	81.826 ± 0.004°
β	79.433 ± 0.003°
γ	64.156 ± 0.002°
Cell volume	813.27 ± 0.08 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 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	0.0461
Residual factor for significantly intense reflections	0.0348
Weighted residual factors for significantly intense reflections	0.0684
Weighted residual factors for all reflections included in the refinement	0.0715
Goodness-of-fit parameter for all reflections included in the refinement	1.07
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
176119 (current)	2016-02-05	cif/ Updating files of 1540702 Original log message: Adding full bibliography for 1540702.cif.	1540702.cif
171541	2015-12-16	cif/ Adding structures of 1540702 via cif-deposit CGI script.	1540702.cif