Crystallography Open Database

Information card for entry 4075870

Preview

Coordinates	4075870.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H59 B O U
Calculated formula	C44 H59 B O U
SMILES	[U]12345678([O]9CCCC9)([c]9([c]4([c]3([c]2([c]19C)C)C)C)C)([c]1([c]8([c]7([c]6([c]51C)C)C)C)C)C.[B-](C)(c1ccccc1)(c1ccccc1)c1ccccc1
Title of publication	Facile Triphenylborane-Based Syntheses of the Sterically Crowded Tris(pentamethylcyclopentadienyl) Complexes (C5Me5)3UMe and (C5Me5)3UCl
Authors of publication	Evans, William J.; Kozimor, Stosh A.; Ziller, Joseph W.
Journal of publication	Organometallics
Year of publication	2005
Journal volume	24
Journal issue	14
Pages of publication	3407
a	9.299 ± 0.002 Å
b	13.881 ± 0.004 Å
c	16.137 ± 0.004 Å
α	69.988 ± 0.005°
β	83.06 ± 0.005°
γ	74.169 ± 0.005°
Cell volume	1882.1 ± 0.8 Å³
Cell temperature	163 ± 2 K
Ambient diffraction temperature	163 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0913
Residual factor for significantly intense reflections	0.0657
Weighted residual factors for significantly intense reflections	0.1646
Weighted residual factors for all reflections included in the refinement	0.1834
Goodness-of-fit parameter for all reflections included in the refinement	1.045
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
178647 (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 4/07/58.	4075870.cif
130086	2015-01-23	cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ \| xargs -i sh -c 'cif_fix_values {} \ \| cif_filter --add-cif-header {} \ \| sponge {}'	4075870.cif
120075	2014-07-11	Adding DOIs to range 4/07 structures.	4075870.cif
50712	2012-03-31	../uploads/cif-deposit/cod/cif Adding structures of 4075869, 4075870 via cif-deposit CGI script.	4075870.cif