Crystallography Open Database

Information card for entry 4325108

Preview

Coordinates	4325108.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	apx1077
Formula	C28 H49 I2 N O4 U
Calculated formula	C28 H49 I2 N O4 U
SMILES	[U](I)(I)(=Nc1c(cccc1C(C)C)C(C)C)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	A General and Modular Synthesis of Monoimidouranium(IV) Dihalides
Authors of publication	Robert E. Jilek; Liam P. Spencer; David L. Kuiper; Brian L. Scott; Ursula J. Williams; James M. Kikkawa; Eric J. Schelter; James M. Boncella
Journal of publication	Inorganic Chemistry
Year of publication	2011
Journal volume	50
Pages of publication	4235 - 4237
a	12.083 ± 0.003 Å
b	16.326 ± 0.005 Å
c	16.352 ± 0.005 Å
α	90°
β	92.833 ± 0.003°
γ	90°
Cell volume	3221.8 ± 1.6 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 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	0.0624
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.1337
Weighted residual factors for all reflections included in the refinement	0.1523
Goodness-of-fit parameter for all reflections included in the refinement	1.097
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
179354 (current)	2016-03-23	cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/51.	4325108.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4325108.cif
43560	2012-03-15	../uploads/cif-deposit/cod/cif Adding structures of 4325108 via cif-deposit CGI script.	4325108.cif