Crystallography Open Database

Information card for entry 4106350

Preview

Coordinates	4106350.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H24 Cl6 N12 Zn3
Calculated formula	C36 H24 Cl6 N12 Zn3
Title of publication	Formation of a Strandlike Polycatenane of Icosahedral Cages for Reversible One-Dimensional Encapsulation of Guests
Authors of publication	Johanna Heine; Jörn Schmedt auf der Günne; Stefanie Dehnen
Journal of publication	Journal of the American Chemical Society
Year of publication	2011
Journal volume	133
Pages of publication	10018 - 10021
a	32.668 ± 0.003 Å
b	14.4026 ± 0.0007 Å
c	31.108 ± 0.003 Å
α	90°
β	100.533 ± 0.007°
γ	90°
Cell volume	14390 ± 2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.2307
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.0654
Weighted residual factors for all reflections included in the refinement	0.085
Goodness-of-fit parameter for all reflections included in the refinement	0.498
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
178809 (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 4/10/63.	4106350.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4106350.cif
53150	2012-04-18	cif/ Adding structures of 4106350 via cif-deposit CGI script.	4106350.cif