Crystallography Open Database

Information card for entry 7121504

Preview

Coordinates	7121504.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H32 N2 Se7 Sn3
Calculated formula	C12 H32 N2 Se7 Sn3
Title of publication	Preparation of thermochromic selenidostannates in deep eutectic solvents.
Authors of publication	Wang, Kai-Yao; Ding, Dong; Zhang, Shu; Wang, Yanlong; Liu, Wei; Wang, Shuao; Wang, Shuai-Hua; Liu, Dan; Wang, Cheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	38
Pages of publication	4806 - 4809
a	17.5344 ± 0.0014 Å
b	13.7273 ± 0.0009 Å
c	24.1221 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	5806.2 ± 0.7 Å³
Cell temperature	290 ± 2 K
Ambient diffraction temperature	290 ± 2 K
Number of distinct elements	5
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.1076
Residual factor for significantly intense reflections	0.0701
Weighted residual factors for significantly intense reflections	0.1576
Weighted residual factors for all reflections included in the refinement	0.1821
Goodness-of-fit parameter for all reflections included in the refinement	1.021
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
228593 (current)	2019-11-17	cif/ Updating files of 7121499, 7121500, 7121501, 7121502, 7121503, 7121504, 7121505, 7121506, 7121507, 7121508, 7121509, 7121510, 7121511, 7121512, 7121513, 7121514 Original log message: Adding full bibliography for 7121499--7121514.cif.	7121504.cif
207350	2018-04-16	cif/ Adding structures of 7121499, 7121500, 7121501, 7121502, 7121503, 7121504, 7121505, 7121506, 7121507, 7121508, 7121509, 7121510, 7121511, 7121512, 7121513, 7121514 via cif-deposit CGI script.	7121504.cif