Crystallography Open Database

Information card for entry 4513162

Preview

Coordinates	4513162.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H51 Cu2 N13 O8
Calculated formula	C20 H10 Cu2 N10
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	11.0071 ± 0.0004 Å
b	7.6667 ± 0.0002 Å
c	14.9346 ± 0.0004 Å
α	90°
β	103.846 ± 0.003°
γ	90°
Cell volume	1223.68 ± 0.07 Å³
Cell temperature	250 ± 0.1 K
Ambient diffraction temperature	250 ± 0.1 K
Number of distinct elements	5
Space group number	10
Hermann-Mauguin space group symbol	P 1 2/m 1
Hall space group symbol	-P 2y
Residual factor for all reflections	0.0456
Residual factor for significantly intense reflections	0.0415
Weighted residual factors for significantly intense reflections	0.1257
Weighted residual factors for all reflections included in the refinement	0.1296
Goodness-of-fit parameter for all reflections included in the refinement	1.046
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.	4513162.cif