Crystallography Open Database

Information card for entry 1547003

Preview

Coordinates	1547003.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 N8 Zn
Calculated formula	C4 H4 N7.97333 Zn
Title of publication	Hyperfine Adjustment of Flexible Pore-Surface Pockets Enables Smart Recognitions of Gas Size and Quadrupole Moment
Authors of publication	He, Chun-Ting; Ye, Zi-Ming; Xu, Yantong; Zhou, Dong-Dong; Zhou, Hao-Long; Chen, Da; Zhang, Jie-Peng; Chen, Xiao-Ming
Journal of publication	Chem. Sci.
Year of publication	2017
a	17.656 ± 0.002 Å
b	17.656 ± 0.002 Å
c	17.656 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	5504 ± 1.1 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	103 ± 2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0233
Residual factor for significantly intense reflections	0.0198
Weighted residual factors for significantly intense reflections	0.0483
Weighted residual factors for all reflections included in the refinement	0.0503
Goodness-of-fit parameter for all reflections included in the refinement	1.049
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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