Crystallography Open Database

Information card for entry 1564089

Preview

Coordinates	1564089.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C22 H10 F8 N2 O2
Calculated formula	C22 H10 F8 N2 O2
SMILES	c1(c(c(c(c(c1O)F)F)c1c(c(c(c(c1F)F)O)F)F)F)F.c1c(ccc(c1)CC#N)CC#N
Title of publication	Ligand-controlled self-assembly of Ag(I) complexes with cyano-containing ligands and their tunable antimicrobial activities
Authors of publication	Han, Jing; Ye, Na; Zhang, Xu; Yu, Zhong; Wang, Jun; Zhang, Yongdi; Wan, Yi
Journal of publication	Inorganica Chimica Acta
Year of publication	2020
Journal volume	512
Pages of publication	119873
a	17.144 ± 0.004 Å
b	6.2142 ± 0.0015 Å
c	19.301 ± 0.005 Å
α	90°
β	101.726 ± 0.004°
γ	90°
Cell volume	2013.3 ± 0.9 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 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	0.0463
Residual factor for significantly intense reflections	0.036
Weighted residual factors for significantly intense reflections	0.0956
Weighted residual factors for all reflections included in the refinement	0.1033
Goodness-of-fit parameter for all reflections included in the refinement	1.322
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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