Crystallography Open Database

Information card for entry 4078491

Preview

Coordinates	4078491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C31 H58 B I3 Li N6 O4 U
Calculated formula	C31 H58 B I3 Li N6 O4 U
SMILES	[U]12(I)(I)(I)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C.[O]1(CCCC1)[Li]([O]1CCCC1)([O](CC)CC)[O](CC)CC
Title of publication	Use of Alkylsodium Reagents for the Synthesis of Trivalent Uranium Alkyl Complexes
Authors of publication	Matson, Ellen M.; Forrest, William P.; Fanwick, Phillip E.; Bart, Suzanne C.
Journal of publication	Organometallics
Year of publication	2012
Journal volume	31
Journal issue	12
Pages of publication	4467
a	19.3062 ± 0.0007 Å
b	11.9134 ± 0.0006 Å
c	20.5103 ± 0.0007 Å
α	90°
β	112.352 ± 0.003°
γ	90°
Cell volume	4363 ± 0.3 Å³
Cell temperature	150 ± 2 K
Number of distinct elements	8
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	0.078
Residual factor for significantly intense reflections	0.067
Weighted residual factors for significantly intense reflections	0.188
Weighted residual factors for all reflections included in the refinement	0.202
Goodness-of-fit parameter for all reflections included in the refinement	1.063
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
288189 (current)	2023-12-08	cif/ Corrected several data names that were misspelt by including an extra underscore in entries 4024869, 4078491, 4106004, 7017848, 7017849, 7105266.	4078491.cif
176467	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4.	4078491.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4078491.cif
62399	2012-07-07	cif/ Adding structures of 4078491 via cif-deposit CGI script.	4078491.cif