Crystallography Open Database

Information card for entry 4109088

Preview

Coordinates	4109088.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 Co8 F6 K N12 O2 P
Calculated formula	C72 H84 Co8 F6 K N12 O2 P
Title of publication	Redox-Switched Complexation/Decomplexation of K+ and Cs+ by Molecular Cyanometalate Boxes
Authors of publication	Julie L. Boyer; Maya Ramesh; Haijun Yao; Thomas B. Rauchfuss; Scott R. Wilson
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	1931 - 1936
a	12.853 ± 0.004 Å
b	12.853 ± 0.004 Å
c	23.193 ± 0.014 Å
α	90°
β	90°
γ	90°
Cell volume	3831 ± 3 Å³
Cell temperature	193 ± 2 K
Ambient diffraction temperature	193 ± 2 K
Number of distinct elements	8
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0469
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0618
Weighted residual factors for all reflections included in the refinement	0.0656
Goodness-of-fit parameter for all reflections included in the refinement	1.013
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4109088.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109088.cif
57840	2012-05-22	cif/ Adding structures of 4109088 via cif-deposit CGI script.	4109088.cif