Crystallography Open Database

Information card for entry 7114463

Preview

Coordinates	7114463.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C12 H24 Al2 O38.33 S6
Calculated formula	C12 H24 Al2 O38.4 S6
Title of publication	An open channel coordination framework sustained by cooperative primary and secondary sphere interactions
Authors of publication	Dalrymple, Sean A.; Shimizu, George K. H.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	19
Pages of publication	2224
a	11.9858 ± 0.0017 Å
b	11.9858 ± 0.0017 Å
c	24.641 ± 0.005 Å
α	90°
β	90°
γ	120°
Cell volume	3065.7 ± 0.9 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	166
Hermann-Mauguin space group symbol	R -3 m :H
Hall space group symbol	-R 3 2"
Residual factor for all reflections	0.0884
Residual factor for significantly intense reflections	0.0663
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1978
Goodness-of-fit parameter for all reflections included in the refinement	1.094
Diffraction radiation wavelength	0.7107 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180258 (current)	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/44.	7114463.cif
116797	2014-06-13	cif/ Adding structures of 7114463 via cif-deposit CGI script.	7114463.cif