Crystallography Open Database

Information card for entry 7043485

Preview

Coordinates	7043485.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Moris461 (Tapas)
Formula	C38 H53 N3 Th
Calculated formula	C38 H53 N3 Th
SMILES	[Th]12345678(N=C9N(c%10cccc%11cccc(N9C(C)C)c%10%11)C(C)C)(C)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
Title of publication	Thorium Complexes Possessing Expanded Ring N-heterocyclic iminato Ligands: Synthesis and Applications
Authors of publication	Eisen, Moris; Ghatak, Tapas; Drucker, Shani; Fridman, Natalia
Journal of publication	Dalton Trans.
Year of publication	2017
a	16.366 ± 0.015 Å
b	13.578 ± 0.004 Å
c	15.865 ± 0.011 Å
α	90°
β	104.34 ± 0.03°
γ	90°
Cell volume	3416 ± 4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0606
Residual factor for significantly intense reflections	0.0475
Weighted residual factors for significantly intense reflections	0.0722
Weighted residual factors for all reflections included in the refinement	0.0755
Goodness-of-fit parameter for all reflections included in the refinement	1.211
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
198192 (current)	2017-06-28	cif/ Adding structures of 7043485, 7043486, 7043487 via cif-deposit CGI script.	7043485.cif