Crystallography Open Database

Information card for entry 4108194

Preview

Coordinates	4108194.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C245 H218 Cl8 Cu4 F24 N20 O32 P4
Calculated formula	C245 H218 Cl8 Cu4 F24 N20 O32 P4
Title of publication	Cyclic [2]Pseudorotaxane Tetramers Consisting of Two Rigid Rods Threaded through Two Bis-Macrocycles: Copper(I)-Templated Synthesis and X-ray Structure Studies
Authors of publication	Julien Frey; Christian Tock; Jean-Paul Collin; Valérie Heitz; Jean-Pierre Sauvage; Kari Rissanen
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	11013 - 11022
a	18.4923 ± 0.0002 Å
b	19.6458 ± 0.0004 Å
c	20.4339 ± 0.0004 Å
α	86.311 ± 0.001°
β	66.573 ± 0.001°
γ	64.109 ± 0.001°
Cell volume	6074 ± 0.2 Å³
Cell temperature	173 ± 0.1 K
Ambient diffraction temperature	173 ± 0.1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.1656
Residual factor for significantly intense reflections	0.1149
Weighted residual factors for significantly intense reflections	0.3003
Weighted residual factors for all reflections included in the refinement	0.3531
Goodness-of-fit parameter for all reflections included in the refinement	1.093
Diffraction radiation probe	x-ray
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
178827 (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 4/10/81.	4108194.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108194.cif
56531	2012-05-11	cif/ Adding structures of 4108194 via cif-deposit CGI script.	4108194.cif