Crystallography Open Database

Information card for entry 4349500

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Coordinates	4349500.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H35 Co4 N14 O24
Calculated formula	C54 H35 Co4 N14 O24
Title of publication	A new Co(ii) metal‒organic framework with enhanced CO2 adsorption and separation performance
Authors of publication	Liu, Xiao-Ting; Jia, Yan-Yuan; Zhang, Ying-Hui; Ren, Guo-Jian; Feng, Rui; Zhang, Shi-Yu; Zaworotko, Michael J.; Bu, Xian-He
Journal of publication	Inorganic Chemistry Frontiers
Year of publication	2016
Journal volume	3
Journal issue	12
Pages of publication	1510
a	20.8935 ± 0.0007 Å
b	16.0332 ± 0.0006 Å
c	28.1694 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	9436.5 ± 0.6 Å³
Cell temperature	125 ± 2 K
Ambient diffraction temperature	125 ± 2 K
Number of distinct elements	5
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1154
Residual factor for significantly intense reflections	0.0877
Weighted residual factors for significantly intense reflections	0.2256
Weighted residual factors for all reflections included in the refinement	0.2467
Goodness-of-fit parameter for all reflections included in the refinement	0.988
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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