Crystallography Open Database

Information card for entry 7236346

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Coordinates	7236346.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C10 H7 Cu N O5
Calculated formula	C10 H7 Cu N O5
Title of publication	A metal‒organic framework functionalized with piperazine exhibiting enhanced CH4 storage
Authors of publication	Zhang, Mingxing; Chen, Cong; Wang, Qian; Fu, Wensheng; Huang, Kunlin; Zhou, Wei
Journal of publication	Journal of Materials Chemistry A
Year of publication	2017
Journal volume	5
Journal issue	1
Pages of publication	349
a	18.542 ± 0.001 Å
b	18.542 ± 0.001 Å
c	37.5167 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	11170.4 ± 1 Å³
Cell temperature	123 K
Ambient diffraction temperature	123 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0955
Residual factor for significantly intense reflections	0.0803
Weighted residual factors for significantly intense reflections	0.2415
Weighted residual factors for all reflections included in the refinement	0.252
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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