Crystallography Open Database

Information card for entry 4071739

Preview

Coordinates	4071739.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H56 B O1.5 P3 S2 U
Calculated formula	C55.4999 H52 B O 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	12.596 ± 0.002 Å
b	13.3444 ± 0.0019 Å
c	17.325 ± 0.002 Å
α	68.359 ± 0.009°
β	88.154 ± 0.009°
γ	66.305 ± 0.009°
Cell volume	2455.5 ± 0.7 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.1587
Residual factor for significantly intense reflections	0.0717
Weighted residual factors for significantly intense reflections	0.1251
Weighted residual factors for all reflections included in the refinement	0.1585
Goodness-of-fit parameter for all reflections included in the refinement	0.955
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
176467 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4071739.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4071739.cif
47256	2012-03-23	cif/4/ Distributing the new range 4 CIFs into their appropriate prefixed subdirectories.	4071739.cif
44006	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4071736, 4071737, 4071738, 4071739, 4071740, 4071741 via cif-deposit CGI script.	4071739.cif