Crystallography Open Database

Information card for entry 7053694

Preview

Coordinates	7053694.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C145 H147.5 N13.5 O26.5 Zn8
Calculated formula	C149.25 H135.5 N8.5 O26.5 Zn8
Title of publication	Robust and stable pyrogallol[4]arene molecular capsules facilitated via an octanuclear zinc coordination belt
Authors of publication	Power, Nicholas P.; Dalgarno, Scott J.; Atwood, Jerry L.
Journal of publication	New Journal of Chemistry
Year of publication	2007
Journal volume	31
Journal issue	1
Pages of publication	17
a	16.449 ± 0.002 Å
b	28.272 ± 0.004 Å
c	29.144 ± 0.004 Å
α	90°
β	90.614 ± 0.003°
γ	90°
Cell volume	13553 ± 3 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0932
Residual factor for significantly intense reflections	0.0566
Weighted residual factors for significantly intense reflections	0.1555
Weighted residual factors for all reflections included in the refinement	0.1868
Goodness-of-fit parameter for all reflections included in the refinement	1.02
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7053694.cif
96557	2014-01-29	cif/ Adding structures of 7053694 via cif-deposit CGI script.	7053694.cif