Crystallography Open Database

Information card for entry 1515931

Preview

Coordinates	1515931.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	CuBr2 1-1
Formula	C48.8 H73.6 Br4 Cu2 N12 O12
Calculated formula	C48.8 H71.2 Br4 Cu2 N12 O12
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	8.215 ± 0.0004 Å
b	8.5279 ± 0.0004 Å
c	42.049 ± 0.002 Å
α	90°
β	92.813 ± 0.001°
γ	90°
Cell volume	2942.3 ± 0.2 Å³
Cell temperature	273 ± 2 K
Ambient diffraction temperature	273 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0714
Residual factor for significantly intense reflections	0.0611
Weighted residual factors for significantly intense reflections	0.1262
Weighted residual factors for all reflections included in the refinement	0.1291
Goodness-of-fit parameter for all reflections included in the refinement	1.322
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.	1515931.cif
112457	2014-05-01	cif/ Adding structures of 1515930, 1515931 via cif-deposit CGI script.	1515931.cif