Crystallography Open Database

Information card for entry 7114214

Preview

Coordinates	7114214.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C90 H140 Cs2 Cu12 N6 O62
Calculated formula	C89 H71.94 Cs2 Cu12 N6 O62
Title of publication	Engineering of ferrimagnetic Cu12-cluster arrays through supramolecular interactionsElectronic supplementary information (ESI) available: χT vs. T plot for K+ salt 1b at magnetic fields of 1 and 10 kOe. See http://www.rsc.org/suppdata/cc/b2/b201585b/
Authors of publication	Murugesu, Muralee; Anson, Christopher E.; Powell, Annie K.
Journal of publication	Chemical Communications
Year of publication	2002
Journal issue	10
Pages of publication	1054
a	14.7809 ± 0.0007 Å
b	14.7809 ± 0.0007 Å
c	31.453 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	5951.1 ± 0.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	176
Hermann-Mauguin space group symbol	P 63/m
Hall space group symbol	-P 6c
Residual factor for all reflections	0.1581
Residual factor for significantly intense reflections	0.0852
Weighted residual factors for significantly intense reflections	0.2092
Weighted residual factors for all reflections included in the refinement	0.2302
Goodness-of-fit parameter for all reflections included in the refinement	0.941
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180256 (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 7/11/42.	7114214.cif
116620	2014-06-13	cif/ Adding structures of 7114209, 7114210, 7114211, 7114212, 7114213, 7114214, 7114215 via cif-deposit CGI script.	7114214.cif