Crystallography Open Database

Information card for entry 4330396

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Coordinates	4330396.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C6 H12 N8 O Zn
Calculated formula	C6 H12 N8 O Zn
Title of publication	A Zeolite-Like Zinc Triazolate Framework with High Gas Adsorption and Separation Performance
Authors of publication	Rui-Biao Lin; Da Chen; Yan-Yong Lin; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	9950 - 9955
a	10.204 ± 0.0015 Å
b	10.204 ± 0.0015 Å
c	13.0998 ± 0.0018 Å
α	90°
β	90°
γ	90°
Cell volume	1364 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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 all reflections	0.1369
Residual factor for significantly intense reflections	0.1359
Weighted residual factors for significantly intense reflections	0.3243
Weighted residual factors for all reflections included in the refinement	0.3248
Goodness-of-fit parameter for all reflections included in the refinement	1.074
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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