Crystallography Open Database

Information card for entry 7043486

Preview

Coordinates	7043486.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Moris508 (Tapas)
Formula	C40 H55 N3 Th
Calculated formula	C40 H55 N3 Th
SMILES	[Th]12345678(N=C9N(c%10ccccc%10c%10ccccc%10N9C(C)C)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	35.983 ± 0.005 Å
b	9.933 ± 0.003 Å
c	22.307 ± 0.003 Å
α	90°
β	112.31 ± 0.015°
γ	90°
Cell volume	7376 ± 3 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	4
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	0.0706
Residual factor for significantly intense reflections	0.0507
Weighted residual factors for significantly intense reflections	0.116
Weighted residual factors for all reflections included in the refinement	0.1226
Goodness-of-fit parameter for all reflections included in the refinement	1.114
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.	7043486.cif