Crystallography Open Database

Information card for entry 1560998

Preview

Coordinates	1560998.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H20 Li2 O10
Calculated formula	C16 H20 Li2 O10
SMILES	C(=O)(COc1ccc(c2ccc(cc2)OCC(=O)[O-])cc1)[O-].[Li+].O.O.[Li+].O.O
Title of publication	Structural diversity of alkali metal coordination polymers driven by flexible biphenyl-4,4′-dioxydiacetic acid
Authors of publication	Łyszczek, Renata; Głuchowska, Halina; Mazur, Liliana; Tarasiuk, Bogdan; Kinzhybalo, Vasyl; Kirillov, Alexander M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	265
Pages of publication	92 - 99
a	16.997 ± 0.004 Å
b	7.901 ± 0.002 Å
c	6.549 ± 0.002 Å
α	90°
β	94.93 ± 0.03°
γ	90°
Cell volume	876.2 ± 0.4 Å³
Cell temperature	120 K
Ambient diffraction temperature	120 K
Number of distinct elements	4
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	0.0565
Residual factor for significantly intense reflections	0.0491
Weighted residual factors for significantly intense reflections	0.1374
Weighted residual factors for all reflections included in the refinement	0.1436
Goodness-of-fit parameter for all reflections included in the refinement	1.076
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
262970 (current)	2021-03-10	cif/ Adding structures of 1560998 via cif-deposit CGI script.	1560998.cif