Crystallography Open Database

Information card for entry 7112982

Preview

Coordinates	7112982.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	[Cs@Cr7CoF8(piv)16].0.5(MeCN)
Formula	C81 H145.5 Co Cr7 Cs F8 N0.5 O32
Calculated formula	C81 H145.5 Co1.04 Cr7.04 Cs F8 N0.5 O32
Title of publication	Caesium ion sequestration by a fluoro-metallocrown [16]-MC-8.
Authors of publication	Faust, Thomas B.; Heath, Paul G.; Muryn, Christopher A.; Timco, Grigore A.; Winpenny, Richard E. P.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2010
Journal volume	46
Journal issue	34
Pages of publication	6258 - 6260
a	45.069 ± 0.002 Å
b	16.3923 ± 0.0003 Å
c	34.86 ± 0.0019 Å
α	90°
β	114.009 ± 0.005°
γ	90°
Cell volume	23525.8 ± 1.9 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
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	0.1401
Residual factor for significantly intense reflections	0.0812
Weighted residual factors for significantly intense reflections	0.2288
Weighted residual factors for all reflections included in the refinement	0.2559
Goodness-of-fit parameter for all reflections included in the refinement	1.063
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
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7112982.cif
112196	2014-04-30	cif/ Adding structures of 7112982, 7112983 via cif-deposit CGI script.	7112982.cif