Crystallography Open Database

Information card for entry 7112119

Preview

Coordinates	7112119.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C13 H19 F5 K N O Si
Calculated formula	C13 H19 F5 K N O Si
SMILES	[K+].[Si]([N-]c1c(F)c(F)c(F)c(F)c1F)(C)(C)C.O(CC)CC
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	9.7741 ± 0.0006 Å
b	22.338 ± 0.0012 Å
c	8.2804 ± 0.0005 Å
α	90°
β	107.812 ± 0.003°
γ	90°
Cell volume	1721.23 ± 0.18 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	0.0417
Residual factor for significantly intense reflections	0.039
Weighted residual factors for significantly intense reflections	0.1301
Weighted residual factors for all reflections included in the refinement	0.1334
Goodness-of-fit parameter for all reflections included in the refinement	0.851
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
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.	7112119.cif
105897	2014-03-14	cif/ Adding structures of 7112115, 7112116, 7112117, 7112118, 7112119 via cif-deposit CGI script.	7112119.cif