Crystallography Open Database

Information card for entry 1548036

Preview

Coordinates	1548036.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5.13 H6 N8 O0.27 Zn
Calculated formula	C5.1355 H6 N8 O0.271 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	9.7682 ± 0.0015 Å
b	9.7682 ± 0.0015 Å
c	20.1 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	1660.9 ± 0.5 Å³
Cell temperature	195 ± 2 K
Ambient diffraction temperature	195 ± 2 K
Number of distinct elements	5
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	0.0432
Residual factor for significantly intense reflections	0.0422
Weighted residual factors for significantly intense reflections	0.1304
Weighted residual factors for all reflections included in the refinement	0.1313
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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