Crystallography Open Database

Information card for entry 1562588

Preview

Coordinates	1562588.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H54 N12 O2 Se6 Sn2 Yb2
Calculated formula	C16 H54 N12 O2 Se6 Sn2 Yb2
SMILES	C1C[NH]2CC[NH2][Yb]3452([NH2]1)([NH2]CC[NH]3CC[NH2]4)[OH][Yb]1234([NH2]CC[NH]1CC[NH2]2)([NH2]CC[NH]3CC[NH2]4)[OH]5.[Se-][Sn]1([Se][Sn]([Se-])([Se-])[Se]1)[Se-]
Title of publication	Complexation of Sn2Se6 with lanthanide(III) centers influenced by ethylene polyamines: Solvothermal syntheses, crystal structures, and optical properties of lanthanide selenidostannates
Authors of publication	Tang, Chunying; Wang, Fang; Chen, Ruihong; Jiang, Wenqing; Zhang, Yong; Jia, Dingxian
Journal of publication	Journal of Solid State Chemistry
Year of publication	2013
Journal volume	204
Pages of publication	70 - 77
a	12.0262 ± 0.001 Å
b	11.6659 ± 0.001 Å
c	13.8189 ± 0.0013 Å
α	90°
β	98.971 ± 0.003°
γ	90°
Cell volume	1915 ± 0.3 Å³
Cell temperature	223 ± 2 K
Ambient diffraction temperature	223 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0341
Residual factor for significantly intense reflections	0.0279
Weighted residual factors for significantly intense reflections	0.0622
Weighted residual factors for all reflections included in the refinement	0.0642
Goodness-of-fit parameter for all reflections included in the refinement	1.132
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
265268 (current)	2021-05-17	cif/ Adding structures of 1562584, 1562585, 1562586, 1562587, 1562588 via cif-deposit CGI script.	1562588.cif