Crystallography Open Database

Information card for entry 1566055

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Coordinates	1566055.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C127 H63.95 Co12 N6 O60
Calculated formula	C127.002 H64.074 Co12 N6 O60
Title of publication	Construction of two new Co(II)-organic frameworks based on diverse metal clusters: Highly selective C2H2 and CO2 capture and magnetic properties
Authors of publication	Ding, Tao; Chen, Jing-Ru; Chen, Jing-Jing; Li, Zi-Yu; Gao, Dan; Zheng, Li-Na; Gao, Zi-Wei
Journal of publication	Journal of Solid State Chemistry
Year of publication	2022
Journal volume	305
Pages of publication	122629
a	29.348 ± 0.003 Å
b	30.145 ± 0.003 Å
c	18.0453 ± 0.0019 Å
α	90°
β	90°
γ	90°
Cell volume	15965 ± 3 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	5
Space group number	59
Hermann-Mauguin space group symbol	P m m n :2
Hall space group symbol	-P 2ab 2a
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0828
Weighted residual factors for significantly intense reflections	0.2126
Weighted residual factors for all reflections included in the refinement	0.2344
Goodness-of-fit parameter for all reflections included in the refinement	0.95
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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