Crystallography Open Database

Information card for entry 4513158

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Coordinates	4513158.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 Cu2 N8
Calculated formula	C40 H56 Cu2 N8
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	10.2839 ± 0.0005 Å
b	17.1644 ± 0.0007 Å
c	11.0355 ± 0.0007 Å
α	90°
β	102.989 ± 0.005°
γ	90°
Cell volume	1898.11 ± 0.17 Å³
Cell temperature	240 ± 2 K
Ambient diffraction temperature	240 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0392
Residual factor for significantly intense reflections	0.0323
Weighted residual factors for significantly intense reflections	0.0847
Weighted residual factors for all reflections included in the refinement	0.0894
Goodness-of-fit parameter for all reflections included in the refinement	1.041
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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