Crystallography Open Database

Information card for entry 7714048

Preview

Coordinates	7714048.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	4(N,N-dimethylamino)pyridinium iodobismuthate
Formula	C28 H44 Bi2 I10 N8
Calculated formula	C28 H44 Bi2 I10 N8
Title of publication	Influence of Crystal Structure and Composition on Optical and Electronic Properties of Pyridinium-based Bismuth Iodide Complexes
Authors of publication	Abdi, Gisya; Gryl, Marlena; Sławek, Andrzej; Kowalewska, Ewelina; Mazur, Tomasz; Podborska, Agnieszka; Mech, Krzysztof; Zawal, Piotr; Pritam, Anurag; Kmita, Angelika; Alluhaibi, Lulu; Maximenko, Alexey; Chakkooth, Vijayakumar; Szacilowski, Konrad
Journal of publication	Dalton Transactions
Year of publication	2023
a	17.9971 ± 0.0006 Å
b	20.3282 ± 0.0007 Å
c	13.9362 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	5098.5 ± 0.3 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 0.1 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	0.0421
Residual factor for significantly intense reflections	0.0269
Weighted residual factors for significantly intense reflections	0.0579
Weighted residual factors for all reflections included in the refinement	0.0622
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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
286597 (current)	2023-09-29	cif/ Adding structures of 7714045, 7714046, 7714047, 7714048 via cif-deposit CGI script.	7714048.cif