Crystallography Open Database

Information card for entry 7054812

Preview

Coordinates	7054812.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	3.THF
Formula	C38 H68 As O Si2 U
Calculated formula	C38 H68 As O Si2 U
SMILES	[C]12([As]3[C]4(=[C]5([C]=1(C)[U]16789%10%112345([C]2(=[CH]1[CH]6=[C]7([CH]8=[CH]9[CH]%10=[CH]%112)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C)[O]1CCCC1)C)C)C
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	11.9699 ± 0.0002 Å
b	14.9384 ± 0.0002 Å
c	22.3338 ± 0.0004 Å
α	90°
β	90.538 ± 0.001°
γ	90°
Cell volume	3993.36 ± 0.11 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 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	0.0686
Residual factor for significantly intense reflections	0.0396
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.1146
Goodness-of-fit parameter for all reflections included in the refinement	1.12
Diffraction radiation probe	x-ray
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
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.	7054812.cif
135960	2015-05-09	cif/ Adding structures of 7054809, 7054810, 7054811, 7054812, 7054813, 7054814 via cif-deposit CGI script.	7054812.cif