Crystallography Open Database

Information card for entry 7047679

Preview

Coordinates	7047679.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H44 N4 O15 Zn2
Calculated formula	C35 H24 N2 O11 Zn2
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	20.228 ± 0.003 Å
b	16.09 ± 0.002 Å
c	14.644 ± 0.002 Å
α	90°
β	99.626 ± 0.002°
γ	90°
Cell volume	4699.1 ± 1.1 Å³
Cell temperature	153 ± 2 K
Ambient diffraction temperature	153 ± 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	0.0716
Residual factor for significantly intense reflections	0.0468
Weighted residual factors for significantly intense reflections	0.155
Weighted residual factors for all reflections included in the refinement	0.1893
Goodness-of-fit parameter for all reflections included in the refinement	1.002
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.	7047679.cif
211262	2018-10-02	cif/ Adding structures of 7047679, 7047680 via cif-deposit CGI script.	7047679.cif