Crystallography Open Database

Information card for entry 4103800

Preview

Coordinates	4103800.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C33 H44 B2 O2 P2 S2 U
Calculated formula	C33 H44 B2 O2 P2 S2 U
Title of publication	The U=C Double Bond: Synthesis and Study of Uranium Nucleophilic Carbene Complexes
Authors of publication	Thibault Cantat; Thérèse Arliguie; Anne Noël; Pierre Thuéry; Michel Ephritikhine; Pascal Le Floch; Nicolas Mézailles
Journal of publication	Journal of the American Chemical Society
Year of publication	2009
Journal volume	131
Pages of publication	963 - 972
a	14.6445 ± 0.0005 Å
b	13.368 ± 0.0004 Å
c	17.8089 ± 0.0006 Å
α	90°
β	92.438 ± 0.002°
γ	90°
Cell volume	3483.3 ± 0.2 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/n 1
Hall space group symbol	-P 2yn
Residual factor for all reflections	0.0324
Residual factor for significantly intense reflections	0.0248
Weighted residual factors for significantly intense reflections	0.0558
Weighted residual factors for all reflections included in the refinement	0.0578
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
178784 (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 4/10/38.	4103800.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103800.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103800.cif
28275	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103800 via cif-deposit CGI script.	4103800.cif