Crystallography Open Database

Information card for entry 4109323

Preview

Coordinates	4109323.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H40 F6 N2 Th
Calculated formula	C36 H40 F6 N2 Th
SMILES	[c]12([c]3([c]4([c]5([c]1([Th]16782345(N=C(C)c2cc(F)c(F)c(F)c2)([c]2([c]6([c]8([c]7([c]12C)C)C)C)C)N=C(C)c1cc(F)c(F)c(F)c1)C)C)C)C)C
Title of publication	Systematic Studies of Early Actinide Complexes: Thorium(IV) Fluoroketimides
Authors of publication	Eric J. Schelter; Ping Yang; Brian L. Scott; Ryan E. Da Re; Kimberly C. Jantunen; Richard L. Martin; P. Jeffrey Hay; David E. Morris; Jaqueline L. Kiplinger
Journal of publication	Journal of the American Chemical Society
Year of publication	2007
Journal volume	129
Pages of publication	5139 - 5152
a	13.087 ± 0.003 Å
b	13.927 ± 0.003 Å
c	18.783 ± 0.005 Å
α	90°
β	99.272 ± 0.003°
γ	90°
Cell volume	3378.7 ± 1.4 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	5
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0172
Residual factor for significantly intense reflections	0.0145
Weighted residual factors for significantly intense reflections	0.0362
Weighted residual factors for all reflections included in the refinement	0.0372
Goodness-of-fit parameter for all reflections included in the refinement	1.185
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
178839 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/93.	4109323.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109323.cif
58089	2012-05-25	cif/ Adding structures of 4109323 via cif-deposit CGI script.	4109323.cif