Crystallography Open Database

Information card for entry 1563498

Preview

Coordinates	1563498.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H14 N8 O4 S2
Calculated formula	C10 H14 N8 O4 S2
SMILES	c1(n(c(CCc2nnc(n2N)SCC(=O)O)nn1)N)SCC(=O)O
Title of publication	Two 3D network complexes of Y(III) and Ce(III) with 2-fold interpenetration and reversible desorption‒adsorption behavior of lattice water
Authors of publication	Chu, Wenjuan; He, Yong; Zhao, Qinghuan; Fan, Yaoting; Hou, Hongwei
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	10
Pages of publication	2298 - 2304
a	6.1348 ± 0.0009 Å
b	11.4461 ± 0.0017 Å
c	11.0712 ± 0.0016 Å
α	90°
β	93.133 ± 0.002°
γ	90°
Cell volume	776.3 ± 0.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	5
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	0.0384
Residual factor for significantly intense reflections	0.0315
Weighted residual factors for significantly intense reflections	0.0782
Weighted residual factors for all reflections included in the refinement	0.0829
Goodness-of-fit parameter for all reflections included in the refinement	1.024
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
266472 (current)	2021-06-15	cif/ Adding structures of 1563498, 1563499, 1563500 via cif-deposit CGI script.	1563498.cif