Crystallography Open Database

Information card for entry 4309734

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Coordinates	4309734.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H46 B I3 N6 U
Calculated formula	C15 H22 B I3 N6 U
SMILES	[U]12(I)(I)(I)[n]3n(c(cc3C)C)[BH](n3[n]1c(cc3C)C)n1[n]2c(cc1C)C
Title of publication	Uranium(III)/(IV) Nitrile Adducts Including UI4(N\τbCPh)4, a Synthetically Useful Uranium(IV) Complex
Authors of publication	Alejandro E. Enriquez; Brian L. Scott; Mary P. Neu
Journal of publication	Inorganic Chemistry
Year of publication	2005
Journal volume	44
Pages of publication	7403 - 7413
a	17.943 ± 0.009 Å
b	18.658 ± 0.009 Å
c	20.265 ± 0.01 Å
α	90°
β	116.276 ± 0.006°
γ	90°
Cell volume	6083 ± 5 Å³
Cell temperature	203 ± 2 K
Ambient diffraction temperature	203 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0751
Residual factor for significantly intense reflections	0.0606
Weighted residual factors for significantly intense reflections	0.1252
Weighted residual factors for all reflections included in the refinement	0.1289
Goodness-of-fit parameter for all reflections included in the refinement	1.441
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
179135 (current)	2016-03-23	cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/97.	4309734.cif
120081	2014-07-12	Adding DOIs to range 4/30 structures.	4309734.cif
34330	2012-02-24	cif/4/ Reorganising CIF range 4 into a prefix tree.	4309734.cif
1526	2010-09-26	cif/4/ Adding new CIFs from Inorg. Chem. 2005 deposited via Web deposition site to the COD test database (and transferede to the main COD database after renaming).	4309734.cif