Crystallography Open Database

Information card for entry 7112114

Preview

Coordinates	7112114.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H111 Cu3 Gd6 N3 O40
Calculated formula	C73 H111 Cu3 Gd6 N3 O40
Title of publication	CO2 as a reaction ingredient for the construction of metal cages: a carbonate-panelled [Gd6Cu3] tridiminished icosahedron
Authors of publication	Thomas N. Hooper; Ross Inglis; Maria A. Palacios; Gary S. Nichol; Mateusz B. Pitak; Simon J. Coles; Giulia Lorusso; Marco Evangelisti; Euan K. Brechin
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3498
a	22.2578 ± 0.0015 Å
b	22.2578 ± 0.0015 Å
c	26.9738 ± 0.0018 Å
α	90°
β	90°
γ	120°
Cell volume	11572.8 ± 1.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0339
Residual factor for significantly intense reflections	0.0329
Weighted residual factors for significantly intense reflections	0.0901
Weighted residual factors for all reflections included in the refinement	0.091
Goodness-of-fit parameter for all reflections included in the refinement	1.053
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	7112114.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7112114.cif
105896	2014-03-14	cif/ Adding structures of 7112113, 7112114 via cif-deposit CGI script.	7112114.cif