Crystallography Open Database

Information card for entry 7707199

Preview

Coordinates	7707199.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H36 Co2 N8 O8
Calculated formula	C54 Co2 N8 O8
Title of publication	Molecular engineering in a family of pillared-layered metal-organic frameworks for tuning gas adsorption behavior.
Authors of publication	Liang, Shuai; Ge, Fa-Yuan; Ren, Shuang-Shuang; Lei, Ming-Yuan; Gao, Xiang-Jing; Zheng, He-Gen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	21
Pages of publication	7409 - 7416
a	19.079 ± 0.004 Å
b	10.058 ± 0.002 Å
c	31.296 ± 0.006 Å
α	90°
β	92.92 ± 0.03°
γ	90°
Cell volume	5998 ± 2 Å³
Cell temperature	190.07 K
Ambient diffraction temperature	190.07 K
Number of distinct elements	5
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.0882
Residual factor for significantly intense reflections	0.0679
Weighted residual factors for significantly intense reflections	0.187
Weighted residual factors for all reflections included in the refinement	0.2024
Goodness-of-fit parameter for all reflections included in the refinement	1.044
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
266095 (current)	2021-06-05	cif/ Updating files of 7707197, 7707198, 7707199, 7707200 Original log message: Adding full bibliography for 7707197--7707200.cif.	7707199.cif
264606	2021-04-28	cif/ Adding structures of 7707197, 7707198, 7707199, 7707200 via cif-deposit CGI script.	7707199.cif