Crystallography Open Database

Information card for entry 4108877

Preview

Coordinates	4108877.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C51 H63 N4 Th
Calculated formula	C51 H63 N4 Th
Title of publication	Evidence for the Involvement of 5f Orbitals in the Bonding and Reactivity of Organometallic Actinide Compounds: Thorium(IV) and Uranium(IV) Bis(hydrazonato) Complexes
Authors of publication	Thibault Cantat; Christopher R. Graves; Kimberly C. Jantunen; Carol J. Burns; Brian L. Scott; Eric J. Schelter; David E. Morris; P. Jeffrey Hay; Jaqueline L. Kiplinger
Journal of publication	Journal of the American Chemical Society
Year of publication	2008
Journal volume	130
Pages of publication	17537 - 17551
a	17.104 ± 0.005 Å
b	19.452 ± 0.005 Å
c	13.778 ± 0.004 Å
α	90°
β	101.422 ± 0.004°
γ	90°
Cell volume	4493 ± 2 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	4
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/c 1
Hall space group symbol	-P 2yc
Residual factor for all reflections	0.0461
Residual factor for significantly intense reflections	0.0357
Weighted residual factors for significantly intense reflections	0.0907
Weighted residual factors for all reflections included in the refinement	0.0946
Goodness-of-fit parameter for all reflections included in the refinement	1.262
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
178834 (current)	2016-03-21	cif/4/10/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/10/88.	4108877.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108877.cif
57303	2012-05-18	cif/ Adding structures of 4108877 via cif-deposit CGI script.	4108877.cif