Crystallography Open Database

Information card for entry 1515930

Preview

Coordinates	1515930.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C96 H136 Br4 Cu4 N24 O23
Calculated formula	C96 H124 Br4 Cu4 N24 O23
Title of publication	Shear induced gelation in a copper(ii) metallogel: new aspects of ion-tunable rheology and gel-reformation by external chemical stimuli
Authors of publication	Piepenbrock, Marc-Oliver M.; Clarke, Nigel; Steed, Jonathan W.
Journal of publication	Soft Matter
Year of publication	2010
Journal volume	6
Journal issue	15
Pages of publication	3541
a	18.241 ± 0.003 Å
b	18.241 ± 0.003 Å
c	35.422 ± 0.007 Å
α	90°
β	90°
γ	90°
Cell volume	11786 ± 4 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.1354
Residual factor for significantly intense reflections	0.0971
Weighted residual factors for significantly intense reflections	0.2266
Weighted residual factors for all reflections included in the refinement	0.2489
Goodness-of-fit parameter for all reflections included in the refinement	1.128
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.	1515930.cif
112457	2014-05-01	cif/ Adding structures of 1515930, 1515931 via cif-deposit CGI script.	1515930.cif