Crystallography Open Database

Information card for entry 7106572

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Coordinates	7106572.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C180 H438 Cu6 I2 N6 Na8 O102
Calculated formula	C88 H48 Cu6 I2 Na7.92 O61.92
Title of publication	A highly symmetric diamond-like assembly of cyclocatechylene-based tetrahedral cages
Authors of publication	Brendan F. Abrahams; Berin A. Boughton; Nicholas J. FitzGerald; Jessica L. Holmes; Richard Robson
Journal of publication	Chem.Commun.
Year of publication	2011
Journal volume	47
Pages of publication	7404
a	36.6111 ± 0.0005 Å
b	36.6111 ± 0.0005 Å
c	36.6111 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	49072.5 ± 1.2 Å³
Cell temperature	130 ± 2 K
Ambient diffraction temperature	130 ± 1 K
Number of distinct elements	7
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.1484
Residual factor for significantly intense reflections	0.1279
Weighted residual factors for significantly intense reflections	0.3693
Weighted residual factors for all reflections included in the refinement	0.4008
Goodness-of-fit parameter for all reflections included in the refinement	1.53
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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