Crystallography Open Database

Information card for entry 7121211

Preview

Coordinates	7121211.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	SNNU-65-Ga-Cu
Formula	C90 H51 Cu6 Ga3 N0 O46
Calculated formula	C90 H51 Cu6 Ga3 O46
Title of publication	Assembly of [Cu<sub>2</sub>(COO)<sub>4</sub>] and [M<sub>3</sub>(μ<sub>3</sub>-O)(COO)<sub>6</sub>] (M = Sc, Fe, Ga, and In) building blocks into porous frameworks towards ultra-high C<sub>2</sub>H<sub>2</sub>/CO<sub>2</sub> and C<sub>2</sub>H<sub>2</sub>/CH<sub>4</sub> separation performance.
Authors of publication	Zhang, Jian-Wei; Hu, Man-Cheng; Li, Shu-Ni; Jiang, Yu-Cheng; Qu, Peng; Zhai, Quan-Guo
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2018
Journal volume	54
Journal issue	16
Pages of publication	2012 - 2015
a	18.5324 ± 0.001 Å
b	18.5324 ± 0.001 Å
c	40.25 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	11971.8 ± 1.5 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 2 K
Number of distinct elements	6
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	0.0992
Residual factor for significantly intense reflections	0.0882
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2029
Goodness-of-fit parameter for all reflections included in the refinement	1.147
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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