Crystallography Open Database

Information card for entry 7029365

Preview

Coordinates	7029365.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	MonoOxaCu2
Formula	C198 H268 Cu4 N8 O23
Calculated formula	C197.68 H257.36 Cu4 N8 O22.98
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	16.02 ± 0.03 Å
b	17.8 ± 0.03 Å
c	19.23 ± 0.04 Å
α	113.17 ± 0.04°
β	95.82 ± 0.04°
γ	106.81 ± 0.04°
Cell volume	4679 ± 15 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	0.1487
Residual factor for significantly intense reflections	0.0734
Weighted residual factors for significantly intense reflections	0.1734
Weighted residual factors for all reflections included in the refinement	0.2071
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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.	7029365.cif
107134	2014-03-18	cif/ Adding structures of 7029365, 7029366, 7029367 via cif-deposit CGI script.	7029365.cif