Crystallography Open Database

Information card for entry 7237237

Preview

Coordinates	7237237.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C23 H33 Bi2 I9 N4
Calculated formula	C23 H30 Bi2 I9 N4
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	16.4361 ± 0.0004 Å
b	22.9617 ± 0.0009 Å
c	11.2234 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	4235.7 ± 0.2 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	0.053
Residual factor for significantly intense reflections	0.0376
Weighted residual factors for significantly intense reflections	0.0833
Weighted residual factors for all reflections included in the refinement	0.0902
Goodness-of-fit parameter for all reflections included in the refinement	1.057
Diffraction radiation probe	x-ray
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
237508 (current)	2019-11-24	cif/ Adding structures of 7237234, 7237235, 7237236, 7237237, 7237238, 7237239 via cif-deposit CGI script.	7237237.cif