Crystallography Open Database

Information card for entry 7028488

Preview

Coordinates	7028488.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H69 Cu6 N7 O18
Calculated formula	C46 H63 Cu6 N7 O18
Title of publication	A dodecanuclear copper(ii) cage self-assembled from six dicopper building units.
Authors of publication	Ghosh, Aloke Kumar; Pait, Moumita; Clérac, Rodolphe; Mathonière, Corine; Bertolasi, Valerio; Bauzá, Antonio; Frontera, Antonio; Pramanik, Kausikisankar; Ray, Debashis
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	10
Pages of publication	4076 - 4085
a	24.6656 ± 0.0014 Å
b	24.6656 ± 0.0014 Å
c	16.6985 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	8798.2 ± 0.9 Å³
Cell temperature	295 K
Ambient diffraction temperature	295 K
Number of distinct elements	5
Space group number	147
Hermann-Mauguin space group symbol	P -3
Hall space group symbol	-P 3
Residual factor for all reflections	0.0943
Residual factor for significantly intense reflections	0.06
Weighted residual factors for significantly intense reflections	0.1589
Weighted residual factors for all reflections included in the refinement	0.1764
Goodness-of-fit parameter for all reflections included in the refinement	1.043
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
179990 (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 7/02/84.	7028488.cif
105340	2014-03-12	cif/ Adding structures of 7028488 via cif-deposit CGI script.	7028488.cif