Crystallography Open Database

Information card for entry 7112113

Preview

Coordinates	7112113.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C73 H115 Cu3 N3 O40 Y6
Calculated formula	C73 H115 Cu3 N3 O40 Y6
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	22.1594 ± 0.0005 Å
b	22.1594 ± 0.0005 Å
c	27.102 ± 0.0007 Å
α	90°
β	90°
γ	120°
Cell volume	11525.2 ± 0.5 Å³
Cell temperature	120 ± 2 K
Ambient diffraction temperature	120 ± 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	0.0865
Residual factor for significantly intense reflections	0.0615
Weighted residual factors for significantly intense reflections	0.1676
Weighted residual factors for all reflections included in the refinement	0.1826
Goodness-of-fit parameter for all reflections included in the refinement	1.032
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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