Crystallography Open Database

Information card for entry 4516229

Preview

Coordinates	4516229.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H16 Cl5 N6 Sb
Calculated formula	C10 H16 Cl5 N6 Sb
SMILES	[Sb](Cl)([Cl-])(Cl)(Cl)[Cl-].[nH+]1c(N)cccc1N.Nc1[nH+]c(N)ccc1
Title of publication	New Antimony-Based Organic-Inorganic Hybrid Material as Electron Extraction Layer for Efficient and Stable Polymer Solar Cells.
Authors of publication	Fredj, Donia; Alkarsifi, Riva; Pourcin, Florent; Liu, Xianjie; Boudjada, Nassira Chniba; Pierron, Pascal; Nourdine, Ali; Boujelbene, Mohamed; Fahlman, Mats; Videlot-Ackermann, Christine; Flandin, Lionel; Ben Dkhil, Sadok; Margeat, Olivier; Ackermann, Jörg
Journal of publication	ACS applied materials & interfaces
Year of publication	2019
Journal volume	11
Journal issue	47
Pages of publication	44820 - 44828
a	9.11 ± 0.05 Å
b	20.33 ± 0.05 Å
c	10.32 ± 0.05 Å
α	90°
β	97.43 ± 0.05°
γ	90°
Cell volume	1895 ± 15 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0498
Residual factor for significantly intense reflections	0.0382
Weighted residual factors for significantly intense reflections	0.1232
Weighted residual factors for all reflections included in the refinement	0.1381
Goodness-of-fit parameter for all reflections included in the refinement	0.709
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
246529 (current)	2020-01-04	cif/ Updating files of 4516229 Original log message: Adding full bibliography for 4516229.cif.	4516229.cif
227891	2019-11-16	cif/ Adding structures of 4516229 via cif-deposit CGI script.	4516229.cif