Crystallography Open Database

Information card for entry 4513164

Preview

Coordinates	4513164.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cu2(F4TCNQ)(2,2'-bpy)2].2MeOH
Formula	C34 H24 Cu2 F4 N8 O2
Calculated formula	C34 H16 Cu2 F4 N8 O2
Title of publication	New CuI2(TCNQ‒II) and CuI2(F4TCNQ‒II) Coordination Polymers
Authors of publication	Abrahams, Brendan F.; Elliott, Robert W.; Hudson, Timothy A.; Robson, Richard; Sutton, Ashley L.
Journal of publication	Crystal Growth & Design
Year of publication	2015
Journal volume	15
Journal issue	5
Pages of publication	2437
a	7.326 ± 0.0007 Å
b	9.4851 ± 0.0011 Å
c	12.2439 ± 0.0011 Å
α	75.849 ± 0.008°
β	80.341 ± 0.007°
γ	77.374 ± 0.009°
Cell volume	799.13 ± 0.14 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 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	0.054
Residual factor for significantly intense reflections	0.0461
Weighted residual factors for significantly intense reflections	0.1245
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
137844 (current)	2015-06-04	cif/ Adding structures of 4513146, 4513147, 4513148, 4513149, 4513150, 4513151, 4513152, 4513153, 4513154, 4513155, 4513156, 4513157, 4513158, 4513159, 4513160, 4513161, 4513162, 4513163, 4513164 via cif-deposit CGI script.	4513164.cif