Crystallography Open Database

Information card for entry 7061014

Preview

Coordinates	7061014.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H36 Br8 N2 Sn
Calculated formula	C16 H36 Br8 N2 Sn
Title of publication	Multisequential reversible phase transition materials with semiconducting and fluorescence properties: (C8H18BrN)2SnBr6
Authors of publication	Liu, Yao; Li, Yu-Kong; Ying, Ting-Ting; Tan, Yu-Hui; Tang, Yun-Zhi; Han, Ding-Chong; Du, Peng-kang; Zhang, Hao
Journal of publication	New Journal of Chemistry
Year of publication	2021
Journal volume	45
Journal issue	44
Pages of publication	20721 - 20725
a	14.4401 ± 0.0014 Å
b	14.7764 ± 0.0013 Å
c	13.9147 ± 0.0012 Å
α	90°
β	90.855 ± 0.003°
γ	90°
Cell volume	2968.7 ± 0.5 Å³
Cell temperature	300 K
Ambient diffraction temperature	300 K
Number of distinct elements	5
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	0.1101
Residual factor for significantly intense reflections	0.061
Weighted residual factors for significantly intense reflections	0.1101
Weighted residual factors for all reflections included in the refinement	0.1331
Goodness-of-fit parameter for all reflections included in the refinement	1.031
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
271184 (current)	2021-12-07	cif/ Updating files of 7061014 Original log message: Adding full bibliography for 7061014.cif.	7061014.cif
269907	2021-10-13	cif/ Adding structures of 7061014 via cif-deposit CGI script.	7061014.cif