Crystallography Open Database

Information card for entry 4104122

Preview

Coordinates	4104122.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H6 Cu2 O11
Calculated formula	C33 H6 Cu2 O11
Title of publication	Highly Porous and Robust 4,8-Connected Metal-Organic Frameworks for Hydrogen Storage
Authors of publication	Liqing Ma; David J. Mihalcik; Wenbin Lin
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	4610 - 4612
a	18.0648 ± 0.0012 Å
b	18.0648 ± 0.0012 Å
c	17.1132 ± 0.0012 Å
α	90°
β	90°
γ	90°
Cell volume	5584.7 ± 0.7 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	75
Hermann-Mauguin space group symbol	P 4
Hall space group symbol	P 4
Residual factor for all reflections	0.1295
Residual factor for significantly intense reflections	0.0774
Weighted residual factors for significantly intense reflections	0.1899
Weighted residual factors for all reflections included in the refinement	0.2113
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
178787 (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 4/10/41.	4104122.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4104122.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4104122.cif
28631	2011-10-31	../uploads/cif-deposit/cod/cif Adding structures of 4104122 via cif-deposit CGI script.	4104122.cif