Crystallography Open Database

Information card for entry 4335502

Preview

Coordinates	4335502.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C16 H10 F10 N Na O
Calculated formula	C16 H10 F10 N Na O
SMILES	[Na+].O(CC)CC.[N-](c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
Title of publication	Electrophilic Ln(III) Cations Protected by C-F →Ln Interactions and Their Coordination Chemistry with Weak σ- and π-Donors
Authors of publication	Haolin Yin; Andrew J. Lewis; Patrick Carroll; Eric J. Schelter
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8234 - 8243
a	11.5901 ± 0.0016 Å
b	19.572 ± 0.003 Å
c	16.133 ± 0.002 Å
α	90°
β	108.472 ± 0.006°
γ	90°
Cell volume	3471.1 ± 0.8 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	6
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	0.0569
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0775
Weighted residual factors for all reflections included in the refinement	0.0887
Goodness-of-fit parameter for all reflections included in the refinement	1.012
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
183806 (current)	2016-06-20	cif/4-7: Fixing some wrong Z values.	4335502.cif
179458	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335502.cif
101433	2014-02-13	cif/ Adding structures of 4335502 via cif-deposit CGI script.	4335502.cif