Crystallography Open Database

Information card for entry 4504924

Preview

Coordinates	4504924.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H8 N6 Zn
Calculated formula	C12 H8 N6 Zn
Title of publication	Synthesis and Characterization of Four Novel Supramolecular Compounds Based on Metal Zinc and Cadmium
Authors of publication	Lu, Jing; Zhao, Kui; Fang, Qian-Rong; Xu, Ji-Qing; Yu, Jie-Hui; Zhang, Xiao; Bie, Hai-Ying; Wang, Tie-Gang
Journal of publication	Crystal Growth & Design
Year of publication	2005
Journal volume	5
Journal issue	3
Pages of publication	1091
a	10.3405 ± 0.0009 Å
b	10.0948 ± 0.0006 Å
c	12.1549 ± 0.0006 Å
α	90°
β	109.317 ± 0.004°
γ	90°
Cell volume	1197.36 ± 0.14 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0839
Residual factor for significantly intense reflections	0.0395
Weighted residual factors for significantly intense reflections	0.0593
Weighted residual factors for all reflections included in the refinement	0.0687
Goodness-of-fit parameter for all reflections included in the refinement	0.859
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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