Crystallography Open Database

Information card for entry 4509410

Preview

Coordinates	4509410.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C58 H50 N12 O6 Zn2
Calculated formula	C58 H42 N12 O6 Zn2
Title of publication	A New Class of TCNQ Derivatives Easily Generated from TCNQH2Containing Discrete TCNQ2−Anions and Noncoordinating Cations
Authors of publication	Hudson, Timothy A.; Robson, Richard
Journal of publication	Crystal Growth & Design
Year of publication	2009
Journal volume	9
Journal issue	4
Pages of publication	1658
a	9.8168 ± 0.0004 Å
b	10.8963 ± 0.0004 Å
c	13.1091 ± 0.0005 Å
α	74.224 ± 0.003°
β	78.567 ± 0.003°
γ	80.703 ± 0.003°
Cell volume	1314 ± 0.09 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0981
Residual factor for significantly intense reflections	0.0894
Weighted residual factors for significantly intense reflections	0.2372
Weighted residual factors for all reflections included in the refinement	0.2411
Goodness-of-fit parameter for all reflections included in the refinement	1.124
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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