Crystallography Open Database

Information card for entry 4116920

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Coordinates	4116920.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H4 N O2 Zn0.5
Calculated formula	C12 H8 N2 O4 Zn
Title of publication	Supramolecular Engineering of Chiral and Acentric 2D Networks. Synthesis, Structures, and Second-Order Nonlinear Optical Properties of Bis(nicotinato)zinc and Bis{3-[2-(4-pyridyl)ethenyl]benzoato}cadmium
Authors of publication	Wenbin Lin; Owen R. Evans; Ren-Gen Xiong; Zhiyong Wang
Journal of publication	Journal of the American Chemical Society
Year of publication	1998
Journal volume	120
Pages of publication	13272 - 13273
a	7.7094 ± 0.0002 Å
b	7.7094 ± 0.0002 Å
c	20.3266 ± 0.0007 Å
α	90°
β	90°
γ	90°
Cell volume	1208.11 ± 0.06 Å³
Cell temperature	198 K
Ambient diffraction temperature	198 K
Number of distinct elements	5
Space group number	96
Hermann-Mauguin space group symbol	P 43 21 2
Hall space group symbol	P 4nw 2abw
Residual factor for significantly intense reflections	0.0668
Weighted residual factors for significantly intense reflections	0.0714
Goodness-of-fit parameter for significantly intense reflections	1.0212
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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