Crystallography Open Database

Information card for entry 1550032

Preview

Coordinates	1550032.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	KAZn
Formula	C34 H13 F28 N4 O Zn
Calculated formula	C34 H14 F28 N4 O Zn
SMILES	[Zn]123([OH]CC)n4c5C(=c6[n]1c(C(=c1n2c(=C(C(F)(F)C(F)(F)C(F)(F)F)c2[n]3c(=C(c4cc5)C(F)(F)C(F)(F)C(F)(F)F)cc2)cc1)C(F)(F)C(F)(F)C(F)(F)F)cc6)C(F)(F)C(F)(F)C(F)(F)F
Title of publication	Unexpected surface interactions between fluorocarbons and hybrid organic inorganic perovskites evidenced by PM-IRRAS and their application towards tuning the surface potential
Authors of publication	Sadhu, Subha; Aqueche, Kyler; Buffeteau, Thierry; Vincent, Jean-Marc; Hirsch, Lionel; Bassani, Dario M.
Journal of publication	Materials Horizons
Year of publication	2019
Journal volume	6
Journal issue	1
Pages of publication	192
a	13.983 ± 0.0009 Å
b	16.9424 ± 0.0011 Å
c	19.1273 ± 0.0011 Å
α	77.146 ± 0.001°
β	74.236 ± 0.001°
γ	75.997 ± 0.002°
Cell volume	4171.3 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0553
Residual factor for significantly intense reflections	0.0429
Weighted residual factors for significantly intense reflections	0.1208
Weighted residual factors for all reflections included in the refinement	0.1271
Goodness-of-fit parameter for all reflections included in the refinement	1.039
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
225361 (current)	2019-11-08	cif/ Updating files of 1550032 Original log message: Adding full bibliography for 1550032.cif.	1550032.cif
217633	2019-08-21	cif/1: Fixing Z values and formulae	1550032.cif
211457	2018-10-13	cif/ Adding structures of 1550032 via cif-deposit CGI script.	1550032.cif