Crystallography Open Database

Information card for entry 7233028

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Coordinates	7233028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C62 H48 N6 O10 Zn2
Calculated formula	C62 H48 N6 O10 Zn2
Title of publication	Stepwise and hysteretic sorption of CO2 in polycatenated metal‒organic frameworks
Authors of publication	Chen, Di-Ming; Zhang, Xue-Jing
Journal of publication	CrystEngComm
Year of publication	2019
Journal volume	21
Journal issue	32
Pages of publication	4696
a	25.124 ± 0.0012 Å
b	17.0584 ± 0.0005 Å
c	30.6102 ± 0.0013 Å
α	90°
β	113.725 ± 0.005°
γ	90°
Cell volume	12010.1 ± 1 Å³
Cell temperature	129.9 ± 0.14 K
Ambient diffraction temperature	129.9 ± 0.14 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0844
Residual factor for significantly intense reflections	0.0603
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.171
Goodness-of-fit parameter for all reflections included in the refinement	1.066
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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