Crystallography Open Database

Information card for entry 4335499

Preview

Coordinates	4335499.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C43 H8 Ce F30 N3 O
Calculated formula	C43 H8 Ce F30 N3 O
SMILES	[Ce]123456(N(c7c(c(c(c(c7F)F)F)F)[F]1)c1c(c(c(c(c1[F]2)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)[F]3)c1c(c(c(c(c1F)F)F)F)[F]4)(N(c1c(c(c(c(c1F)F)F)F)[F]5)c1c(c(c(c(c1F)F)F)F)[F]6)[O](c1ccccc1)C
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	10.449 ± 0.003 Å
b	11.307 ± 0.003 Å
c	18.92 ± 0.005 Å
α	83.687 ± 0.011°
β	88.692 ± 0.01°
γ	71.854 ± 0.009°
Cell volume	2111.1 ± 1 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0243
Residual factor for significantly intense reflections	0.0214
Weighted residual factors for significantly intense reflections	0.0506
Weighted residual factors for all reflections included in the refinement	0.0541
Goodness-of-fit parameter for all reflections included in the refinement	1.134
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
179457 (current)	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 4/33/54.	4335499.cif
101429	2014-02-13	cif/ Adding structures of 4335499 via cif-deposit CGI script.	4335499.cif