Crystallography Open Database

Information card for entry 7227332

Preview

Coordinates	7227332.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	ZJU-12
Formula	C28 H18 Cu2 O12
Calculated formula	C28 H14 Cu2 O12
Title of publication	A novel methoxy-decorated metal‒organic framework exhibiting high acetylene and carbon dioxide storage capacities
Authors of publication	Duan, Xing; Cui, Yuanjing; Yang, Yu; Qian, Guodong
Journal of publication	CrystEngComm
Year of publication	2017
Journal volume	19
Journal issue	11
Pages of publication	1464
a	18.6401 ± 0.0005 Å
b	18.6401 ± 0.0005 Å
c	39.748 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	11960.3 ± 0.5 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
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	0.05
Residual factor for significantly intense reflections	0.0405
Weighted residual factors for significantly intense reflections	0.1199
Weighted residual factors for all reflections included in the refinement	0.1239
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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