Crystallography Open Database

Information card for entry 7114215

Preview

Coordinates	7114215.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C86.5 H128 Cu12 N6 O59.5 Rb2
Calculated formula	C86.5 H72 Cu12 N6 O59.5 Rb2
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	35.956 ± 0.003 Å
b	12.3567 ± 0.0007 Å
c	26.9198 ± 0.0018 Å
α	90°
β	105.403 ± 0.01°
γ	90°
Cell volume	11530.8 ± 1.5 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.1391
Residual factor for significantly intense reflections	0.0625
Weighted residual factors for significantly intense reflections	0.1416
Weighted residual factors for all reflections included in the refinement	0.1624
Goodness-of-fit parameter for all reflections included in the refinement	0.809
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7114215.cif
116620	2014-06-13	cif/ Adding structures of 7114209, 7114210, 7114211, 7114212, 7114213, 7114214, 7114215 via cif-deposit CGI script.	7114215.cif