Crystallography Open Database

Information card for entry 4103799

Preview

Coordinates	4103799.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C99.5 H112 B6 P6 S6 U3
Calculated formula	C99.5 H108 B6 P6 S6 U3
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	14.0685 ± 0.0003 Å
b	15.4706 ± 0.0003 Å
c	24.6002 ± 0.0004 Å
α	107.317 ± 0.002°
β	98.742 ± 0.001°
γ	95.683 ± 0.001°
Cell volume	4992.72 ± 0.18 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	0.0525
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.076
Weighted residual factors for all reflections included in the refinement	0.0812
Goodness-of-fit parameter for all reflections included in the refinement	1.04
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.	4103799.cif
120076	2014-07-11	Adding DOIs to range 4/10 structures.	4103799.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4103799.cif
28274	2011-10-24	../uploads/cif-deposit/cod/cif Adding structures of 4103799 via cif-deposit CGI script.	4103799.cif