Crystallography Open Database

Information card for entry 7237238

Preview

Coordinates	7237238.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H10 Bi I4 N
Calculated formula	C10 Bi I4 N
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	7.6699 ± 0.0003 Å
b	16.336 ± 0.0007 Å
c	13.1719 ± 0.0006 Å
α	90°
β	91.06 ± 0.004°
γ	90°
Cell volume	1650.1 ± 0.12 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	I 1 2/a 1
Hall space group symbol	-I 2ya
Residual factor for all reflections	0.0333
Residual factor for significantly intense reflections	0.0318
Weighted residual factors for significantly intense reflections	0.0753
Weighted residual factors for all reflections included in the refinement	0.076
Goodness-of-fit parameter for all reflections included in the refinement	1.056
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.	7237238.cif