Crystallography Open Database

Information card for entry 1561209

Preview

Coordinates	1561209.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C14 H8 Cu F4 N4 O4
Calculated formula	C14 H8 Cu F4 N4 O4
SMILES	[Cu]([n]1c[nH]cc1)(OC(=O)c1c(c(F)c(C(=O)O[Cu]([n]2c[nH]cc2)[n]2c[nH]cc2)c(c1F)F)F)([n]1c[nH]cc1)OC(=O)c1c(c(F)c(C(=O)[O-])c(c1F)F)F
Title of publication	Cu(II) coordination polymers constructed by tetrafluoroterephthalic acid and varied imidazole-containing ligands: Syntheses, structures and properties
Authors of publication	Liu, Kang; Sun, Yayong; Deng, Liming; Cao, Fan; Han, Jishu; Wang, Lei
Journal of publication	Journal of Solid State Chemistry
Year of publication	2018
Journal volume	258
Pages of publication	24 - 31
a	7.0597 ± 0.0013 Å
b	7.4506 ± 0.0011 Å
c	7.612 ± 0.0008 Å
α	85.291 ± 0.01°
β	78.141 ± 0.012°
γ	81.338 ± 0.014°
Cell volume	386.83 ± 0.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0424
Residual factor for significantly intense reflections	0.037
Weighted residual factors for significantly intense reflections	0.0814
Weighted residual factors for all reflections included in the refinement	0.0857
Goodness-of-fit parameter for all reflections included in the refinement	1.091
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
263252 (current)	2021-03-23	cif/ Adding structures of 1561208, 1561209, 1561210, 1561211, 1561212, 1561213 via cif-deposit CGI script.	1561209.cif