Crystallography Open Database

Information card for entry 4109324

Preview

Coordinates	4109324.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H42 F4 N2 Th
Calculated formula	C36 H42 F4 N2 Th
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	10.729 ± 0.0005 Å
b	17.7108 ± 0.0008 Å
c	19.3565 ± 0.0009 Å
α	108.759 ± 0.001°
β	90.192 ± 0.001°
γ	102.902 ± 0.001°
Cell volume	3383.5 ± 0.3 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.071
Residual factor for significantly intense reflections	0.0442
Weighted residual factors for significantly intense reflections	0.1002
Weighted residual factors for all reflections included in the refinement	0.1092
Goodness-of-fit parameter for all reflections included in the refinement	1.157
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
189367 (current)	2016-12-23	cif/4/ (antanas@echidna.ibt.lt) Marking attached hydrogen atoms in entries 4031579, 4109324, 4111407, 4304125, 4337358.	4109324.cif
178839	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.	4109324.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4109324.cif
58090	2012-05-25	cif/ Adding structures of 4109324 via cif-deposit CGI script.	4109324.cif