Crystallography Open Database

Information card for entry 7237239

Preview

Coordinates	7237239.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H24 Bi2 I9 N3
Calculated formula	C18 H24 Bi2 I9 N3
Title of publication	Polymeric iodobismuthates {[Bi3I10]} and {[BiI4]} with N-heterocyclic cations: promising perovskite-like photoactive materials for electronic devices
Authors of publication	Usoltsev, Andrey N.; Elshobaki, Moneim; Adonin, Sergey A.; Frolova, Lyubov A.; Derzhavskaya, Tatiyana; Abramov, Pavel A.; Anokhin, Denis V.; Korolkov, Ilya V.; Luchkin, Sergey Yu.; Dremova, Nadezhda N.; Stevenson, Keith J.; Sokolov, Maxim N.; Fedin, Vladimir P.; Troshin, Pavel A.
Journal of publication	Journal of Materials Chemistry A
Year of publication	2019
Journal volume	7
Journal issue	11
Pages of publication	5957
a	15.5976 ± 0.0008 Å
b	23.0812 ± 0.0013 Å
c	11.0806 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	3989.1 ± 0.4 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	62
Hermann-Mauguin space group symbol	P n m a
Hall space group symbol	-P 2ac 2n
Residual factor for all reflections	0.0347
Residual factor for significantly intense reflections	0.0291
Weighted residual factors for significantly intense reflections	0.0628
Weighted residual factors for all reflections included in the refinement	0.0643
Goodness-of-fit parameter for all reflections included in the refinement	1.143
Diffraction radiation probe	x-ray
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
237508 (current)	2019-11-24	cif/ Adding structures of 7237234, 7237235, 7237236, 7237237, 7237238, 7237239 via cif-deposit CGI script.	7237239.cif