Crystallography Open Database

Information card for entry 4508669

Preview

Coordinates	4508669.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	[Ag{Z2(H+)2}(cucurbituril)](ClO4)3-6.5(H2O)
Formula	C56 H73 Ag Cl3 N28 O30.5
Calculated formula	C56 H60 Ag Cl3 N28 O30.5
Title of publication	Silver(I) Ion Assisted Assembly of One-Dimensional Polyrotaxanes Incorporating Cucurbit[6]uril
Authors of publication	Wang, Zhi-Bin; Zhu, Hui-Fang; Zhao, Min; Li, Yi-Zhi; Okamura, Taka-aki; Sun, Wei-Yin; Chen, Hui-Lan; Ueyama, Norikazu
Journal of publication	Crystal Growth & Design
Year of publication	2006
Journal volume	6
Journal issue	6
Pages of publication	1420
a	14.132 ± 0.011 Å
b	16.266 ± 0.013 Å
c	30.62 ± 0.02 Å
α	99.91 ± 0.07°
β	91.37 ± 0.07°
γ	92.56 ± 0.07°
Cell volume	6923 ± 9 Å³
Cell temperature	200 K
Ambient diffraction temperature	200 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	0.1807
Residual factor for significantly intense reflections	0.0582
Weighted residual factors for significantly intense reflections	0.0873
Weighted residual factors for all reflections included in the refinement	0.1006
Goodness-of-fit parameter for all reflections included in the refinement	0.815
Diffraction radiation wavelength	0.71075 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4508669.cif
96840	2014-01-29	cif/ Adding structures of 4508666, 4508667, 4508668, 4508669 via cif-deposit CGI script.	4508669.cif