Crystallography Open Database

Information card for entry 7054811

Preview

Coordinates	7054811.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2THF
Formula	C38 H68 O P Si2 U
Calculated formula	C38 H68 O P Si2 U
Title of publication	Activation of carbon dioxide by new mixed sandwich uranium(iii) complexes incorporating cyclooctatetraenyl and pyrrolide, phospholide, or arsolide ligands
Authors of publication	Kahan, Rachel J.; Cloke, F. Geoffrey N.; Roe, S. Mark; Nief, François
Journal of publication	New J. Chem.
Year of publication	2015
Journal volume	39
Journal issue	10
Pages of publication	7602
a	11.8847 ± 0.0007 Å
b	14.9475 ± 0.0008 Å
c	22.5236 ± 0.0014 Å
α	90°
β	89.568 ± 0.005°
γ	90°
Cell volume	4001.1 ± 0.4 Å³
Cell temperature	173 K
Ambient diffraction temperature	173 K
Number of distinct elements	6
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	0.0429
Residual factor for significantly intense reflections	0.0298
Weighted residual factors for significantly intense reflections	0.0641
Weighted residual factors for all reflections included in the refinement	0.07
Goodness-of-fit parameter for all reflections included in the refinement	1.047
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	Mo/Ka
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
162082 (current)	2015-10-09	cif/ Updating files of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 Original log message: Adding full bibliography for 7054809--7054814.cif.	7054811.cif
135960	2015-05-09	cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script.	7054811.cif