Crystallography Open Database

Information card for entry 1507930

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Coordinates	1507930.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	stam1
Formula	C60 H68 Cu6 O52
Calculated formula	C60 H48 Cu6 O52
Title of publication	Protecting group and switchable pore-discriminating adsorption properties of a hydrophilic-hydrophobic metal-organic framework.
Authors of publication	Mohideen, M Infas H; Xiao, Bo; Wheatley, Paul S.; McKinlay, Alistair C.; Li, Yang; Slawin, Alexandra M. Z.; Aldous, David W.; Cessford, Naomi F.; Düren, Tina; Zhao, Xuebo; Gill, Rachel; Thomas, K. Mark; Griffin, John M.; Ashbrook, Sharon E.; Morris, Russell E.
Journal of publication	Nature chemistry
Year of publication	2011
Journal volume	3
Journal issue	4
Pages of publication	304 - 310
a	18.65 ± 0.0017 Å
b	18.65 ± 0.0017 Å
c	6.8329 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	2058.2 ± 0.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	164
Hermann-Mauguin space group symbol	P -3 m 1
Hall space group symbol	-P 3 2"
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.1339
Weighted residual factors for all reflections included in the refinement	0.1415
Goodness-of-fit parameter for all reflections included in the refinement	1.149
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	1507930.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1507930.cif
62476	2012-07-09	cif/ Adding structures of 1507930 via cif-deposit CGI script.	1507930.cif