Crystallography Open Database

Information card for entry 7044359

Preview

Coordinates	7044359.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C32 H37 Cl N4 Th
Calculated formula	C32 H37 Cl N4 Th
SMILES	[Th]1234567(Cl)([N]8=C(C=C(N3c3ccccc3N2C(=CC(=[N]1c1c8cccc1)C)C)C)C)[c]1([c]5([c]7([c]4([c]61C)C)C)C)C
Title of publication	New supporting ligands in actinide chemistry: tetramethyltetraazaannulene complexes with thorium and uranium
Authors of publication	Hohloch, Stephan; Garner, Mary E.; Parker, Bernard F.; Arnold, John
Journal of publication	Dalton Trans.
Year of publication	2017
a	10.4328 ± 0.0005 Å
b	11.7779 ± 0.0006 Å
c	14.0722 ± 0.0007 Å
α	112.907 ± 0.002°
β	90.535 ± 0.003°
γ	92.754 ± 0.002°
Cell volume	1590.2 ± 0.14 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0252
Residual factor for significantly intense reflections	0.023
Weighted residual factors for significantly intense reflections	0.0432
Weighted residual factors for all reflections included in the refinement	0.0437
Goodness-of-fit parameter for all reflections included in the refinement	1.086
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
201541 (current)	2017-09-30	cif/ Adding structures of 7044355, 7044356, 7044357, 7044358, 7044359, 7044360, 7044361, 7044362, 7044363, 7044364, 7044365, 7044366 via cif-deposit CGI script.	7044359.cif