Crystallography Open Database

Information card for entry 7233027

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Coordinates	7233027.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C60 H42 Cd2 N6 O10
Calculated formula	C60 H42 Cd2 N6 O10
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	25.864 ± 0.005 Å
b	17.137 ± 0.003 Å
c	15.838 ± 0.003 Å
α	90°
β	118.8 ± 0.03°
γ	90°
Cell volume	6152 ± 3 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273.15 K
Number of distinct elements	5
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0539
Residual factor for significantly intense reflections	0.0483
Weighted residual factors for significantly intense reflections	0.1174
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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