Crystallography Open Database

Information card for entry 7110351

Preview

Coordinates	7110351.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C148 H176 Cd4 N20 O44
Calculated formula	C145 H161 Cd4 N19 O43
Title of publication	Engineering entanglement: controlling the formation of polycatenanes and polyrotaxanes using π interactions
Authors of publication	Boer, Stephanie A.; Hawes, Chris S.; Turner, David R.
Journal of publication	Chemical Communications (Cambridge, United Kingdom)
Year of publication	2014
Journal volume	50
Journal issue	9
Pages of publication	1125 - 1127
a	45.995 ± 0.009 Å
b	15.366 ± 0.003 Å
c	32.009 ± 0.006 Å
α	90°
β	134.07 ± 0.03°
γ	90°
Cell volume	16254 ± 10 Å³
Cell temperature	100 ± 2 K
Number of distinct elements	5
Space group number	5
Hermann-Mauguin space group symbol	C 1 2 1
Hall space group symbol	C 2y
Residual factor for all reflections	0.1075
Residual factor for significantly intense reflections	0.092
Weighted residual factors for significantly intense reflections	0.2542
Weighted residual factors for all reflections included in the refinement	0.2704
Goodness-of-fit parameter for all reflections included in the refinement	1.03
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Synchrotron
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
210842 (current)	2018-09-11	cif/7/11/03/ Updating bibliography in entries 7110350-7110352.	7110351.cif
180217	2016-03-26	cif/7/11/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 7/11/03.	7110351.cif
120112	2014-07-12	Adding DOIs to range 7 structures.	7110351.cif
94646	2014-01-27	cif/ Adding structures of 7110350, 7110351, 7110352 via cif-deposit CGI script.	7110351.cif