Crystallography Open Database

Information card for entry 4108906

Preview

Coordinates	4108906.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C149.25 H217.75 Ag0.5 Ga6 N3.75 O59
Calculated formula	C150.25 H169 Ag0.5 Ga6 N3.75 O59
Title of publication	Ion Transport to the Interior of Metal-Organic Pyrogallol[4]arene Nanocapsules
Authors of publication	Ping Jin; Scott J. Dalgarno; Charles Barnes; Simon J. Teat; Jerry L. Atwood
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17262 - 17263
a	21.96 ± 0.004 Å
b	22.811 ± 0.005 Å
c	24.091 ± 0.005 Å
α	110.92 ± 0.03°
β	106.34 ± 0.03°
γ	107.66 ± 0.03°
Cell volume	9657 ± 6 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1259
Residual factor for significantly intense reflections	0.0845
Weighted residual factors for significantly intense reflections	0.251
Weighted residual factors for all reflections included in the refinement	0.2943
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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