Crystallography Open Database

Information card for entry 7127401

Preview

Coordinates	7127401.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H16 Bi Cl5 N2 S2
Calculated formula	C6 H16 Bi Cl5 N2 S2
Title of publication	A one-dimensional switchable dielectric material with Pd uptake function: [(CH<sub>2</sub>)<sub>3</sub>NH<sub>2</sub>S]<sub>2</sub>BiCl<sub>5</sub>.
Authors of publication	Liu, Yu-Ting; He, Lei; Shi, Ping-Ping; Ye, Qiong; Fu, Da-Wei
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	89
Pages of publication	13764 - 13767
a	12.1998 ± 0.0005 Å
b	7.4008 ± 0.0003 Å
c	21.8754 ± 0.001 Å
α	90°
β	123.518 ± 0.003°
γ	90°
Cell volume	1646.66 ± 0.13 Å³
Cell temperature	213 ± 2 K
Ambient diffraction temperature	213 ± 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	0.0399
Residual factor for significantly intense reflections	0.0349
Weighted residual factors for significantly intense reflections	0.0829
Weighted residual factors for all reflections included in the refinement	0.0854
Goodness-of-fit parameter for all reflections included in the refinement	1.022
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
260651 (current)	2021-01-07	cif/ Updating files of 7127401, 7127402 Original log message: Adding full bibliography for 7127401--7127402.cif.	7127401.cif
258279	2020-10-10	cif/ Adding structures of 7127401, 7127402 via cif-deposit CGI script.	7127401.cif