Crystallography Open Database

Information card for entry 7239560

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Coordinates	7239560.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H22 Cu2 O10
Calculated formula	C31 H10 Cu2 O10
Title of publication	A new metal‒organic framework with potential for adsorptive separation of methane from carbon dioxide, acetylene, ethylene, and ethane established by simulated breakthrough experiments
Authors of publication	Duan, Xing; Zhang, Qi; Cai, Jianfeng; Yang, Yu; Cui, Yuanjin; He, Yabing; Wu, Chuande; Krishna, Rajamani; Chen, Banglin; Qian, Guodong
Journal of publication	Journal of Materials Chemistry A
Year of publication	2014
Journal volume	2
Journal issue	8
Pages of publication	2628
a	18.4819 ± 0.0003 Å
b	18.4819 ± 0.0003 Å
c	34.4495 ± 0.0005 Å
α	90°
β	90°
γ	120°
Cell volume	10190.8 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	194
Hermann-Mauguin space group symbol	P 63/m m c
Hall space group symbol	-P 6c 2c
Residual factor for all reflections	0.0721
Residual factor for significantly intense reflections	0.0599
Weighted residual factors for significantly intense reflections	0.1569
Weighted residual factors for all reflections included in the refinement	0.1636
Goodness-of-fit parameter for all reflections included in the refinement	1.07
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
244771 (current)	2019-11-28	cif/ Adding structures of 7239560 via cif-deposit CGI script.	7239560.cif