Crystallography Open Database

Information card for entry 4071736

Preview

Coordinates	4071736.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C79 H111 B2 P3 S2 U
Calculated formula	C79 H111 B2 P3 S2 U
Title of publication	Organouranium Complexes with Phosphinine-Based SPS Pincer Ligands. Variations with the Substituent at the Phosphorus Atom
Authors of publication	Arliguie, Thérèse; Blug, Matthias; Le Floch, Pascal; Mézailles, Nicolas; Thuéry, Pierre; Ephritikhine, Michel
Journal of publication	Organometallics
Year of publication	2008
Journal volume	27
Journal issue	16
Pages of publication	4158
a	11.4079 ± 0.0007 Å
b	13.8663 ± 0.0008 Å
c	24.1144 ± 0.0016 Å
α	96.727 ± 0.002°
β	91.573 ± 0.003°
γ	100.436 ± 0.005°
Cell volume	3721 ± 0.4 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0815
Residual factor for significantly intense reflections	0.059
Weighted residual factors for significantly intense reflections	0.1267
Weighted residual factors for all reflections included in the refinement	0.1372
Goodness-of-fit parameter for all reflections included in the refinement	1.078
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
178606 (current)	2016-03-21	cif/4/07/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/07/17.	4071736.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071736.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071736.cif
44006	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071736, 4071737, 4071738, 4071739, 4071740, 4071741 via cif-deposit CGI script.	4071736.cif