Crystallography Open Database

Information card for entry 4081632

Preview

Coordinates	4081632.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	complex_12_formate
Formula	C37 H64 O2 Si2 U
Calculated formula	C37 H64 O2 Si2 U
SMILES	[C]12(=[CH]3[CH]4=[C]5([CH]6=[CH]7[CH]8=[CH]1[U]19%10%11%122345678([c]2([c]1([c]9([c]%10([c]%112C)C)C)C)C)[O]=CO%12)[Si](C(C)C)(C(C)C)C(C)C)[Si](C(C)C)(C(C)C)C(C)C
Title of publication	Synthesis and CO2Insertion Chemistry of Uranium(IV) Mixed-Sandwich Alkyl and Hydride Complexes
Authors of publication	Higgins, Jessica A.; Cloke, F. Geoffrey N.; Roe, S. Mark
Journal of publication	Organometallics
Year of publication	2013
Journal volume	32
Journal issue	19
Pages of publication	5244
a	8.9601 ± 0.0002 Å
b	11.9408 ± 0.0003 Å
c	19.1699 ± 0.0006 Å
α	101.418 ± 0.001°
β	91.992 ± 0.001°
γ	103.723 ± 0.002°
Cell volume	1945.82 ± 0.09 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 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	0.0424
Residual factor for significantly intense reflections	0.0332
Weighted residual factors for significantly intense reflections	0.0756
Weighted residual factors for all reflections included in the refinement	0.0808
Goodness-of-fit parameter for all reflections included in the refinement	0.876
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
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.	4081632.cif
89775	2013-11-10	cif/ Adding structures of 4081621, 4081622, 4081623, 4081624, 4081625, 4081626, 4081627, 4081628, 4081629, 4081630, 4081631, 4081632 via cif-deposit CGI script.	4081632.cif