Crystallography Open Database

Information card for entry 7047685

Preview

Coordinates	7047685.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C54 H46 N6 S4 Th
Calculated formula	C54 H46 N6 S4 Th
Title of publication	Monomeric thorium chalcogenolates with bipyridine and terpyridine ligands.
Authors of publication	Ringgold, Marissa; Wu, Wen; Stuber, Matthew; Kornienko, Anna Y.; Emge, Thomas J.; Brennan, John G.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2018
Journal volume	47
Journal issue	41
Pages of publication	14652 - 14661
a	15.1881 ± 0.001 Å
b	21.6317 ± 0.0014 Å
c	15.651 ± 0.001 Å
α	90°
β	111.146 ± 0.001°
γ	90°
Cell volume	4795.8 ± 0.5 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0596
Residual factor for significantly intense reflections	0.0394
Weighted residual factors for significantly intense reflections	0.0736
Weighted residual factors for all reflections included in the refinement	0.0792
Goodness-of-fit parameter for all reflections included in the refinement	1.004
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
229342 (current)	2019-11-17	cif/ Updating files of 7047683, 7047684, 7047685, 7047686, 7047687 Original log message: Adding full bibliography for 7047683--7047687.cif.	7047685.cif
211288	2018-10-03	cif/ Adding structures of 7047683, 7047684, 7047685, 7047686, 7047687 via cif-deposit CGI script.	7047685.cif