Crystallography Open Database

Information card for entry 4002822

Preview

Coordinates	4002822.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	BiBr5
Formula	C8 H20 Bi Br5 N2 O0
Calculated formula	C8 H20 Bi Br5 N2
Title of publication	Structure Tunable Organic‒Inorganic Bismuth Halides for an Enhanced Two-Dimensional Lead-Free Light-Harvesting Material
Authors of publication	Li, Mu-Qing; Hu, Yue-Qiao; Bi, Le-Yu; Zhang, Hao-Lan; Wang, Yanyan; Zheng, Yan-Zhen
Journal of publication	Chemistry of Materials
Year of publication	2017
Journal volume	29
Journal issue	13
Pages of publication	5463
a	19.724 ± 0.014 Å
b	11.129 ± 0.008 Å
c	16.62 ± 0.012 Å
α	90°
β	107.465 ± 0.008°
γ	90°
Cell volume	3480 ± 4 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	0.0591
Residual factor for significantly intense reflections	0.0495
Weighted residual factors for significantly intense reflections	0.1354
Weighted residual factors for all reflections included in the refinement	0.1416
Goodness-of-fit parameter for all reflections included in the refinement	1.017
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
200653 (current)	2017-09-12	cif/ Updating files of 4002821, 4002822, 4002823, 4002824 Original log message: Adding full bibliography for 4002821--4002824.cif.	4002822.cif
198204	2017-06-29	cif/ Adding structures of 4002821, 4002822, 4002823, 4002824 via cif-deposit CGI script.	4002822.cif