Crystallography Open Database

Information card for entry 1548033

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Coordinates	1548033.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 N8 Zn
Calculated formula	C5 H6 N8 Zn
Title of publication	Efficient purification of ethene by an ethane-trapping metal-organic framework
Authors of publication	Pei-Qin Liao; Wei-Xiong Zhang; Jie-Peng Zhang; Xiao-Ming Chen
Journal of publication	Nature Communications
Year of publication	2015
Journal volume	6
Pages of publication	8697
a	9.6963 ± 0.0015 Å
b	9.6963 ± 0.0015 Å
c	20.126 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	1638.7 ± 0.4 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	4
Space group number	152
Hermann-Mauguin space group symbol	P 31 2 1
Hall space group symbol	P 31 2"
Residual factor for all reflections	0.019
Residual factor for significantly intense reflections	0.0186
Weighted residual factors for significantly intense reflections	0.0489
Weighted residual factors for all reflections included in the refinement	0.0491
Goodness-of-fit parameter for all reflections included in the refinement	1.003
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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