Crystallography Open Database

Information card for entry 7110279

Preview

Coordinates	7110279.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C18 H48 Br2 Cl7 Cu3 N9
Calculated formula	C18 H51 Br2 Cl7 Cu3 N9
Title of publication	Supramolecular assembly of ligand-directed triangular {CuII3Cl} clusters with spin frustration and spin-chain behaviourElectronic supplementary information (ESI) available: full synthetic and analytical details. See http://www.rsc.org/suppdata/cc/b4/b402487g/
Authors of publication	Seeber, Georg; K�gerler, Paul; Kariuki, Benson M.; Cronin, Leroy
Journal of publication	Chemical Communications
Year of publication	2004
Journal issue	14
Pages of publication	1580 - 1581
a	12.6961 ± 0.0002 Å
b	12.6961 ± 0.0002 Å
c	12.6511 ± 0.0002 Å
α	90°
β	90°
γ	120°
Cell volume	1766.04 ± 0.05 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	0.062
Residual factor for significantly intense reflections	0.0563
Weighted residual factors for significantly intense reflections	0.1805
Weighted residual factors for all reflections included in the refinement	0.1858
Goodness-of-fit parameter for all reflections included in the refinement	1.089
Diffraction radiation wavelength	1.5418 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
180216 (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 7/11/02.	7110279.cif
94339	2014-01-23	cif/ Adding structures of 7110278, 7110279 via cif-deposit CGI script.	7110279.cif