Crystallography Open Database

Information card for entry 1561213

Preview

Coordinates	1561213.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C50 H54 Cu F4 N12 O10
Calculated formula	C50 H54 Cu F4 N12 O10
SMILES	[Cu]1([n]2cn(Cc3cccc(Cn4cncc4)c3)cc2)([n]2cn(cc2)Cc2cccc(c2)Cn2c[n](cc2)[Cu]([OH2])([OH2])[n]2cn(cc2)Cc2cccc(c2)Cn2c[n]1cc2)([OH2])([OH2])[n]1cn(Cc2cccc(Cn3cncc3)c2)cc1.n1cn(Cc2cccc(Cn3cncc3)c2)cc1.n1cn(Cc2cccc(Cn3cncc3)c2)cc1.c1(F)c(F)c(C(=O)[O-])c(F)c(F)c1C(=O)[O-].c1(F)c(F)c(C(=O)[O-])c(F)c(F)c1C(=O)[O-].O.O.O.O.O.O.O.O
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	10.005 ± 0.0008 Å
b	11.372 ± 0.0007 Å
c	12.5756 ± 0.0005 Å
α	69.022 ± 0.005°
β	74.409 ± 0.005°
γ	77.635 ± 0.006°
Cell volume	1275.71 ± 0.15 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	0.0536
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0889
Weighted residual factors for all reflections included in the refinement	0.097
Goodness-of-fit parameter for all reflections included in the refinement	1.03
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.	1561213.cif