Crystallography Open Database

Information card for entry 7029367

Preview

Coordinates	7029367.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cu11
Formula	C114 H166 Cu11 N8 O36
Calculated formula	C114 H166 Cu11 N8 O36
Title of publication	Oxacalix[4]arene-supported di-, tetra- and undecanuclear copper(ii) clusters.
Authors of publication	Fairbairn, Robyn E.; McLellan, Ross; McIntosh, Ruaraidh D.; Palacios, Maria A.; Brechin, Euan K.; Dalgarno, Scott J.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	14
Pages of publication	5292 - 5298
a	13.5485 ± 0.0007 Å
b	14.4801 ± 0.0007 Å
c	18.8246 ± 0.001 Å
α	81.546 ± 0.002°
β	75.736 ± 0.002°
γ	62.611 ± 0.002°
Cell volume	3175.6 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1784
Residual factor for significantly intense reflections	0.0868
Weighted residual factors for significantly intense reflections	0.2107
Weighted residual factors for all reflections included in the refinement	0.2404
Goodness-of-fit parameter for all reflections included in the refinement	1.271
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
179999 (current)	2016-03-25	cif/7/02/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/02/93.	7029367.cif
107134	2014-03-18	cif/ Adding structures of 7029365, 7029366, 7029367 via cif-deposit CGI script.	7029367.cif