Crystallography Open Database

Information card for entry 7102971

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Coordinates	7102971.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C444 H507 N7 O191 Zn16
Calculated formula	C443.7 H307.98 O127.5 Zn16
Title of publication	Closed-surface hexameric metal-organic nanocapsules derived from cavitand ligands.
Authors of publication	Ugono, Onome; Moran, Jason P; Holman, K Travis
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2008
Journal issue	12
Pages of publication	1404 - 1406
a	44.783 ± 0.006 Å
b	44.783 ± 0.006 Å
c	22.093 ± 0.006 Å
α	90°
β	90°
γ	120°
Cell volume	38373 ± 12 Å³
Cell temperature	103 ± 2 K
Ambient diffraction temperature	85 ± 2 K
Number of distinct elements	5
Space group number	148
Hermann-Mauguin space group symbol	R -3 :H
Hall space group symbol	-R 3
Residual factor for all reflections	0.1467
Residual factor for significantly intense reflections	0.0913
Weighted residual factors for significantly intense reflections	0.2431
Weighted residual factors for all reflections included in the refinement	0.2726
Goodness-of-fit parameter for all reflections included in the refinement	0.914
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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