Crystallography Open Database

Information card for entry 4102696

Preview

Coordinates	4102696.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C204 H146 F24 N30 O34 Pd2 S4
Calculated formula	C204 H142 F24 N30 O34 Pd2 S4
Title of publication	Light-Triggered Crystallization of a Molecular Host-Guest Complex
Authors of publication	Guido H. Clever; Shohei Tashiro; Mitsuhiko Shionoya
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	9973 - 9975
a	17.158 ± 0.002 Å
b	18.8062 ± 0.0018 Å
c	20.0326 ± 0.0019 Å
α	74.075 ± 0.003°
β	89.79 ± 0.004°
γ	71.856 ± 0.003°
Cell volume	5883.2 ± 1.1 Å³
Cell temperature	93.1 K
Ambient diffraction temperature	93.1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for significantly intense reflections	0.1794
Weighted residual factors for all reflections included in the refinement	0.4945
Goodness-of-fit parameter for all reflections included in the refinement	1.269
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.	4102696.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4102696.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4102696.cif
25598	2011-09-12	../uploads/cif-deposit/cod/cif Adding structures of 4102696 via cif-deposit CGI script.	4102696.cif