Crystallography Open Database

Information card for entry 7112117

Preview

Coordinates	7112117.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C70 H86 Ce2 F30 N6 O7 Si6
Calculated formula	C70 H86 Ce2 F30 N6 O7 Si6
Title of publication	k^2^-Coordination of 18-crown-6 to Ce(III) cations: solution dynamics and reactivity
Authors of publication	Haolin Yin; Jerome R. Robinson; Patrick J. Carroll; Patrick J. Walsh; Eric J. Schelter
Journal of publication	Chem.Commun.
Year of publication	2014
Journal volume	50
Pages of publication	3470
a	12.193 ± 0.0016 Å
b	18.164 ± 0.003 Å
c	40.779 ± 0.006 Å
α	90°
β	95.641 ± 0.006°
γ	90°
Cell volume	8988 ± 2 Å³
Cell temperature	100 ± 1 K
Ambient diffraction temperature	100 ± 1 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0448
Residual factor for significantly intense reflections	0.041
Weighted residual factors for significantly intense reflections	0.0891
Weighted residual factors for all reflections included in the refinement	0.0904
Goodness-of-fit parameter for all reflections included in the refinement	1.181
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
180235 (current)	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 7/11/21.	7112117.cif
105897	2014-03-14	cif/ Adding structures of 7112115, 7112116, 7112117, 7112118, 7112119 via cif-deposit CGI script.	7112117.cif