Crystallography Open Database

Information card for entry 7105380

Preview

Coordinates	7105380.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C144 H156 Cu6 N24 O48 S12
Calculated formula	C144 H108 Cu6 N24 O48.01 S12
Title of publication	Self-assembly of neutral hexanuclear circular copper(II) meso-helicates: topological control by sulfate ions.
Authors of publication	Tanh Jeazet, Harold B; Gloe, Kerstin; Doert, Thomas; Kataeva, Olga N; Jäger, Anne; Geipel, Gerhard; Bernhard, Gert; Büchner, Bernd; Gloe, Karsten
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	14
Pages of publication	2373 - 2375
a	23.7647 ± 0.0006 Å
b	23.7647 ± 0.0006 Å
c	25.3824 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	12414.5 ± 0.6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.0837
Residual factor for significantly intense reflections	0.0539
Weighted residual factors for significantly intense reflections	0.1382
Weighted residual factors for all reflections included in the refinement	0.1578
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
180157 (current)	2016-03-26	cif/7/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/10/53.	7105380.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7105380.cif
35909	2012-02-26	cif/7/: reorganising range 7 into a prefix-directory tree.	7105380.cif
1086	2010-04-11	cif/2/, cif/7/ Depositing CIFs from Acta-Cryst-C-2010_03/, Acta-Cryst-E-2010_03/ and Chem-Comm-2010_12-16/ processing directories.	7105380.cif