Crystallography Open Database

Information card for entry 7714047

Preview

Coordinates	7714047.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	4-methylpyridinium iodobismuthate
Formula	C18 H24 Bi2 I9 N3
Calculated formula	C18 H24 Bi2 I9 N3
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	9.2443 ± 0.0001 Å
b	10.6401 ± 0.0001 Å
c	37.94 ± 0.0003 Å
α	90°
β	90°
γ	90°
Cell volume	3731.79 ± 0.06 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 0.1 K
Number of distinct elements	5
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0472
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.0951
Weighted residual factors for all reflections included in the refinement	0.0978
Goodness-of-fit parameter for all reflections included in the refinement	0.94
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.	7714047.cif