Crystallography Open Database

Information card for entry 1515058

Preview

Coordinates	1515058.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C159 H O24 Zn4
Calculated formula	C159 O24 Zn4
Title of publication	Mixed-motif interpenetration and cross-linking of high-connectivity networks led to robust and porous metal‒organic frameworks with high gas uptake capacities
Authors of publication	Wen, Liang; Cheng, Peng; Lin, Wenbin
Journal of publication	Chemical Science
Year of publication	2012
Journal volume	3
Journal issue	7
Pages of publication	2288
a	20.6536 ± 0.0003 Å
b	33.4974 ± 0.0005 Å
c	20.7926 ± 0.0003 Å
α	90°
β	118.619 ± 0.001°
γ	90°
Cell volume	12627.7 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	4
Hermann-Mauguin space group symbol	P 1 21 1
Hall space group symbol	P 2yb
Residual factor for all reflections	0.1038
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2131
Weighted residual factors for all reflections included in the refinement	0.2226
Goodness-of-fit parameter for all reflections included in the refinement	1.32
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1515058.cif
110853	2014-04-20	cif/ Adding structures of 1515057, 1515058 via cif-deposit CGI script.	1515058.cif