Crystallography Open Database

Information card for entry 4105592

Preview

Coordinates	4105592.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C74 H52 Ag2 N10 O28
Calculated formula	C74 H52 Ag2 N10 O28
Title of publication	Environmentally Responsive Threading, Dethreading, and Fixation of Anion-Induced Pseudorotaxanes
Authors of publication	Han-Yuan Gong; Brett M. Rambo; Elizabeth Karnas; Vincent M. Lynch; Karin M. Keller; Jonathan L. Sessler
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	1526 - 1533
a	11.431 ± 0.002 Å
b	13.858 ± 0.003 Å
c	15.183 ± 0.003 Å
α	116.2 ± 0.003°
β	91.13 ± 0.003°
γ	113.54 ± 0.003°
Cell volume	1921.4 ± 0.7 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.124
Residual factor for significantly intense reflections	0.0925
Weighted residual factors for significantly intense reflections	0.1959
Weighted residual factors for all reflections included in the refinement	0.2209
Goodness-of-fit parameter for all reflections included in the refinement	0.978
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
178801 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/55.	4105592.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4105592.cif
52351	2012-04-10	../uploads/cif-deposit/cod/cif Adding structures of 4105592 via cif-deposit CGI script.	4105592.cif