Crystallography Open Database

Information card for entry 7242662

Preview

Coordinates	7242662.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C20 H30 Bi Br4 N3 O2
Calculated formula	C20 H30 Bi Br4 N3 O2
SMILES	[Bi]1(Br)(Br)(Br)(Br)[O]=n2ccccc2c2n(=[O]1)cccc2.[N+]1(CCCCC1)(C)CCCC
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	16.7831 ± 0.0007 Å
b	10.2718 ± 0.0005 Å
c	15.2355 ± 0.0007 Å
α	90°
β	94.446 ± 0.004°
γ	90°
Cell volume	2618.6 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.04
Residual factor for significantly intense reflections	0.0316
Weighted residual factors for significantly intense reflections	0.0649
Weighted residual factors for all reflections included in the refinement	0.0705
Goodness-of-fit parameter for all reflections included in the refinement	1.016
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
265964 (current)	2021-06-05	cif/ Updating files of 7242660, 7242661, 7242662 Original log message: Adding full bibliography for 7242660--7242662.cif.	7242662.cif
264222	2021-04-16	cif/ Adding structures of 7242660, 7242661, 7242662 via cif-deposit CGI script.	7242662.cif