Crystallography Open Database

Information card for entry 7716096

Preview

Coordinates	7716096.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	In(HSEt)2NMe)NO
Formula	C13 H16 F3 In N2 O S2
Calculated formula	C13 H16 F3 In N2 O S2
SMILES	[In]123(OC(=Cc4[n]2cccc4)C(F)(F)F)SCC[N]3(CCS1)C
Title of publication	Synthesis and theoretical study of a mixed-ligand indium(III) complex for fabrication of β-In<sub>2</sub>S<sub>3</sub> thin films <i>via</i> chemical vapor deposition.
Authors of publication	Amadi, Chijioke Kingsley; Karimpour, Touraj; Jafari, Maziar; Peng, Zhiyuan; Van Gerven, David; Brune, Veronika; Hartl, Fabian; Siaj, Mohamed; Mathur, Sanjay
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	23
Pages of publication	9874 - 9886
a	11.1065 ± 0.0003 Å
b	13.0043 ± 0.0005 Å
c	22.9345 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	3312.48 ± 0.19 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.0463
Residual factor for significantly intense reflections	0.0333
Weighted residual factors for significantly intense reflections	0.0691
Weighted residual factors for all reflections included in the refinement	0.0759
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
293131 (current)	2024-07-05	cif/ Updating files of 7716095, 7716096 Original log message: Adding full bibliography for 7716095--7716096.cif.	7716096.cif
291945	2024-05-18	cif/ Adding structures of 7716095, 7716096 via cif-deposit CGI script.	7716096.cif