Crystallography Open Database

Information card for entry 7220376

7220375 << 7220376 >> 7220377

Preview

Coordinates	7220376.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42.75 H46.5 Cl3.5 Cu N16 O7.5
Calculated formula	C42.75 H46.5 Cl3.5 Cu N16 O7.5
Title of publication	Reversible adsorption and separation of chlorocarbons and BTEX based on Cu(ii)-metal organic framework
Authors of publication	Yang, Fan; Liu, Qi-Kui; Ma, Jian-Ping; Li, Yan-An; Wang, Ke-Xin; Dong, Yu-Bin
Journal of publication	CrystEngComm
Year of publication	2015
Journal volume	17
Journal issue	22
Pages of publication	4102
a	16.527 ± 0.011 Å
b	20.962 ± 0.014 Å
c	16.969 ± 0.012 Å
α	90°
β	106.983 ± 0.01°
γ	90°
Cell volume	5622 ± 7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1348
Residual factor for significantly intense reflections	0.0932
Weighted residual factors for significantly intense reflections	0.2646
Weighted residual factors for all reflections included in the refinement	0.302
Goodness-of-fit parameter for all reflections included in the refinement	1.069
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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