Crystallography Open Database

Information card for entry 4335503

Preview

Coordinates	4335503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H40 Ce F40 N4 Na O4
Calculated formula	C64 H40 Ce F40 N4 Na O4
SMILES	[Ce]12345(N(c6c(c(c(c(c6F)F)F)F)[F]1)c1c(c(c(c(c1F)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)[F]2)c1c(c(c(c(c1F)F)F)F)F)(N(c1c(c(c(c(c1F)F)F)F)[F]3)c1c(c(c(c(c1F)F)F)F)F)N(c1c(c(c(c(c1F)F)F)F)[F]4)c1c(c(c(c(c1F)F)F)F)[F]5.[Na]([O](CC)CC)([O](CC)CC)([O](CC)CC)[O](CC)CC
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	12.7902 ± 0.0011 Å
b	13.1639 ± 0.0013 Å
c	20.981 ± 0.002 Å
α	104.81 ± 0.005°
β	95.051 ± 0.004°
γ	91.908 ± 0.004°
Cell volume	3396.2 ± 0.6 Å³
Cell temperature	143 ± 1 K
Ambient diffraction temperature	143 ± 1 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.036
Residual factor for significantly intense reflections	0.0286
Weighted residual factors for significantly intense reflections	0.0674
Weighted residual factors for all reflections included in the refinement	0.0723
Goodness-of-fit parameter for all reflections included in the refinement	1.041
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
179458 (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 4/33/55.	4335503.cif
101434	2014-02-13	cif/ Adding structures of 4335503 via cif-deposit CGI script.	4335503.cif