Crystallography Open Database

Information card for entry 4107326

Preview

Coordinates	4107326.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	PCN-14
Formula	C270 H162 Cu18 O90
Calculated formula	C270 H126 Cu18 O90
Title of publication	Metal-Organic Framework from an Anthracene Derivative Containing Nanoscopic Cages Exhibiting High Methane Uptake
Authors of publication	Shengqian Ma; Daofeng Sun; Jason M. Simmons; Christopher D. Collier; Daqiang Yuan; Hong-Cai Zhou
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	1012 - 1016
a	18.453 ± 0.0004 Å
b	18.453 ± 0.0004 Å
c	76.976 ± 0.004 Å
α	90°
β	90°
γ	120°
Cell volume	22699.7 ± 1.4 Å³
Cell temperature	90 ± 2 K
Ambient diffraction temperature	90 ± 2 K
Number of distinct elements	4
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0597
Residual factor for significantly intense reflections	0.0518
Weighted residual factors for significantly intense reflections	0.1591
Weighted residual factors for all reflections included in the refinement	0.1658
Goodness-of-fit parameter for all reflections included in the refinement	1.071
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
178819 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/73.	4107326.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4107326.cif
54991	2012-05-02	cif/ Adding structures of 4107326 via cif-deposit CGI script.	4107326.cif