Crystallography Open Database

Information card for entry 4304140

Preview

Coordinates	4304140.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H68 Ce N3 P6 Se6
Calculated formula	C78 H66 Ce N3 P6 Se6
Title of publication	Experimental and Theoretical Comparison of Actinide and Lanthanide Bonding in M[N(EPR2)2]3 Complexes (M = U, Pu, La, Ce; E = S, Se, Te; R = Ph,iPr, H)
Authors of publication	Andrew J. Gaunt; Sean D. Reilly; Alejandro E. Enriquez; Brian L. Scott; James A. Ibers; Perumal Sekar; Kieran I. M. Ingram; Nikolas Kaltsoyannis; Mary P. Neu
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	29 - 41
a	15.1571 ± 0.0003 Å
b	15.1571 ± 0.0003 Å
c	57.057 ± 0.003 Å
α	90°
β	90°
γ	120°
Cell volume	11352 ± 0.7 Å³
Cell temperature	141 ± 2 K
Ambient diffraction temperature	141 ± 2 K
Number of distinct elements	6
Space group number	167
Hermann-Mauguin space group symbol	R -3 c :H
Hall space group symbol	-R 3 2"c
Residual factor for all reflections	0.0385
Residual factor for significantly intense reflections	0.0232
Weighted residual factors for significantly intense reflections	0.048
Weighted residual factors for all reflections included in the refinement	0.0489
Goodness-of-fit parameter for all reflections included in the refinement	0.873
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
179079 (current)	2016-03-22	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/41.	4304140.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4304140.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4304140.cif
1163	2010-05-11	cif/4/: committing data from the Inorg-Chem-2008_01-12/ deposition.	4304140.cif