Crystallography Open Database

Information card for entry 4108878

Preview

Coordinates	4108878.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C35 H46 Hf N2
Calculated formula	C35 H46 Hf N2
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	39.276 ± 0.011 Å
b	10.45 ± 0.003 Å
c	16.202 ± 0.004 Å
α	90°
β	99.043 ± 0.006°
γ	90°
Cell volume	6567 ± 3 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 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	0.106
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1111
Weighted residual factors for all reflections included in the refinement	0.1197
Goodness-of-fit parameter for all reflections included in the refinement	1.171
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4108878.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4108878.cif
57304	2012-05-18	cif/ Adding structures of 4108878 via cif-deposit CGI script.	4108878.cif