Crystallography Open Database

Information card for entry 7030074

Preview

Coordinates	7030074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C48 H45 N7 O13 Zn2
Calculated formula	C48 H42 N7 O13 Zn2
Title of publication	An unprecedented acylamide-functionalized 2D →3D microporous metal-organic polycatenation framework exhibiting highly selective CO2 capture.
Authors of publication	Liu, Bo; Li, Dong-Sheng; Hou, Lei; Yang, Guo-Ping; Wang, Yao-Yu; Shi, Qi-Zhen
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2013
Journal volume	42
Journal issue	27
Pages of publication	9822 - 9825
a	10.405 ± 0.003 Å
b	24.813 ± 0.007 Å
c	19.681 ± 0.005 Å
α	90°
β	106.2 ± 0.013°
γ	90°
Cell volume	4879 ± 2 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 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	0.1158
Residual factor for significantly intense reflections	0.0559
Weighted residual factors for significantly intense reflections	0.1203
Weighted residual factors for all reflections included in the refinement	0.1501
Goodness-of-fit parameter for all reflections included in the refinement	1.011
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7030074.cif
111379	2014-04-22	cif/ Adding structures of 7030074 via cif-deposit CGI script.	7030074.cif