Crystallography Open Database

Information card for entry 7047680

Preview

Coordinates	7047680.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H48 Co2 N4 O16
Calculated formula	C35 H24 Co2 N2 O11
Title of publication	Novel metal-organic frameworks with high stability for selectively sensing nitroaromatics.
Authors of publication	Liu, Yi; Zhao, Yue; Liu, Xiao-Hui; Kang, Yan-Shang; Wang, Peng; Sun, Wei-Yin
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	43
Pages of publication	15399 - 15404
a	20.2688 ± 0.001 Å
b	16.1961 ± 0.0007 Å
c	14.506 ± 0.0006 Å
α	90°
β	100.178 ± 0.001°
γ	90°
Cell volume	4687 ± 0.4 Å³
Cell temperature	123 ± 2 K
Ambient diffraction temperature	123 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1075
Weighted residual factors for all reflections included in the refinement	0.1155
Goodness-of-fit parameter for all reflections included in the refinement	1.081
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
229434 (current)	2019-11-17	cif/ Updating files of 7047679, 7047680 Original log message: Adding full bibliography for 7047679--7047680.cif.	7047680.cif
211262	2018-10-02	cif/ Adding structures of 7047679, 7047680 via cif-deposit CGI script.	7047680.cif