Crystallography Open Database

Information card for entry 1508076

Preview

Coordinates	1508076.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46 H52 B F15 N4 Si2 U
Calculated formula	C46 H52 B F15 N4 Si2 U
SMILES	[U]12345678(N([Si](C)(C)C)[Si](C)(C)C)(N=N#[N][B](c9c(F)c(F)c(F)c(F)c9F)(c9c(F)c(F)c(F)c(F)c9F)c9c(F)c(F)c(F)c(F)c9F)([c]9([c]4([c]3([c]2([c]19C)C)C)C)CC)[c]1([c]5([c]6([c]7([c]81C)C)C)C)CC
Title of publication	Uranium azide photolysis results in C-H bond activation and provides evidence for a terminal uranium nitride.
Authors of publication	Thomson, Robert K.; Cantat, Thibault; Scott, Brian L.; Morris, David E.; Batista, Enrique R.; Kiplinger, Jaqueline L.
Journal of publication	Nature chemistry
Year of publication	2010
Journal volume	2
Journal issue	9
Pages of publication	723 - 729
a	13.6355 ± 0.001 Å
b	25.5997 ± 0.0018 Å
c	14.2579 ± 0.001 Å
α	90°
β	100.183 ± 0.001°
γ	90°
Cell volume	4898.5 ± 0.6 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	7
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	0.0431
Residual factor for significantly intense reflections	0.0282
Weighted residual factors for significantly intense reflections	0.0561
Weighted residual factors for all reflections included in the refinement	0.0611
Goodness-of-fit parameter for all reflections included in the refinement	1.065
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
176729 (current)	2016-02-18	cif/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 1.	1508076.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508076.cif
62622	2012-07-09	cif/ Adding structures of 1508076 via cif-deposit CGI script.	1508076.cif