Crystallography Open Database

Information card for entry 1547001

Preview

Coordinates	1547001.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C4 H4 Cd N7
Calculated formula	C4 H4 Cd N6.98667
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	18.6035 ± 0.0013 Å
b	18.6035 ± 0.0013 Å
c	18.6035 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	6438.5 ± 0.8 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	0.0184
Residual factor for significantly intense reflections	0.0166
Weighted residual factors for significantly intense reflections	0.0461
Weighted residual factors for all reflections included in the refinement	0.0485
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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