Crystallography Open Database

Information card for entry 7242661

Preview

Coordinates	7242661.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C21 H17.5 Bi2 Br6 N4.5 O4
Calculated formula	C21 H17.5 Bi2 Br6 N4.5 O4
Title of publication	2,2′-Bipyridyl-1,1′-dioxide based bismuth(iii) bromide hybrids: studies on crystal structure and luminescence
Authors of publication	Jin, Jian-Ce; Lin, Yang-Peng; Lin, Li-Fang; Xiao, Cao; Song, Ying; Shen, Nan-Nan; Gong, Liao-Kuo; Zhang, Zhi-Zhuan; Du, Ke-Zhao; Huang, Xiao-Ying
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	20
Pages of publication	3744 - 3752
a	16.702 ± 0.003 Å
b	13.373 ± 0.003 Å
c	27.508 ± 0.006 Å
α	90°
β	98.96 ± 0.03°
γ	90°
Cell volume	6069 ± 2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0359
Residual factor for significantly intense reflections	0.0295
Weighted residual factors for significantly intense reflections	0.0666
Weighted residual factors for all reflections included in the refinement	0.0688
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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
265964 (current)	2021-06-05	cif/ Updating files of 7242660, 7242661, 7242662 Original log message: Adding full bibliography for 7242660--7242662.cif.	7242661.cif
264222	2021-04-16	cif/ Adding structures of 7242660, 7242661, 7242662 via cif-deposit CGI script.	7242661.cif