Crystallography Open Database

Information card for entry 4129215

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Coordinates	4129215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H18 F12 N2 O4 Zn
Calculated formula	C16 H18 F12 N2 O4 Zn
SMILES	[Zn]123(OC(=CC(=[O]1)C(F)(F)F)C(F)(F)F)(OC(=CC(=[O]2)C(F)(F)F)C(F)(F)F)[N](CC[N]3(C)C)(C)C
Title of publication	MOCVD-derived highly transparent, conductive zinc- and tin-doped indium oxide thin films: precursor synthesis, metastable phase film growth and characterization, and application as anodes in polymer light-emitting diodes.
Authors of publication	Ni, Jun; Yan, He; Wang, Anchuang; Yang, Yu; Stern, Charlotte L.; Metz, Andrew W.; Jin, Shu; Wang, Lian; Marks, Tobin J.; Ireland, John R.; Kannewurf, Carl R.
Journal of publication	Journal of the American Chemical Society
Year of publication	2005
Journal volume	127
Journal issue	15
Pages of publication	5613 - 5624
a	13.2588 ± 0.0008 Å
b	10.3996 ± 0.0006 Å
c	17.3331 ± 0.001 Å
α	90°
β	108.54 ± 0.001°
γ	90°
Cell volume	2266 ± 0.2 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0335
Residual factor for significantly intense reflections	0.0277
Weighted residual factors for significantly intense reflections	0.0723
Weighted residual factors for all reflections included in the refinement	0.0764
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
239997 (current)	2019-11-25	cif/ Adding structures of 4129215 via cif-deposit CGI script.	4129215.cif