Crystallography Open Database

Information card for entry 4124277

Preview

Coordinates	4124277.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C42 H95 K N4 O6 Si6 Th
Calculated formula	C42 H95 K N4 O6 Si6 Th
Title of publication	Thorium Mono- and Bis(imido) Complexes Made by Reprotonation of cyclo-Metalated Amides.
Authors of publication	Bell, Nicola L.; Maron, Laurent; Arnold, Polly L.
Journal of publication	Journal of the American Chemical Society
Year of publication	2015
Pages of publication	150814165612001
a	12.2166 ± 0.0004 Å
b	14.0289 ± 0.0005 Å
c	19.5008 ± 0.0007 Å
α	84.295 ± 0.003°
β	82.139 ± 0.003°
γ	71.601 ± 0.003°
Cell volume	3135.9 ± 0.2 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0744
Residual factor for significantly intense reflections	0.0453
Weighted residual factors for significantly intense reflections	0.0757
Weighted residual factors for all reflections included in the refinement	0.0828
Goodness-of-fit parameter for all reflections included in the refinement	0.987
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
154654 (current)	2015-09-06	cif/ Updating files of 4124276, 4124277, 4124278 Original log message: Adding full bibliography for 4124276--4124278.cif.	4124277.cif
153452	2015-08-16	cif/ Adding structures of 4124276, 4124277, 4124278 via cif-deposit CGI script.	4124277.cif