Crystallography Open Database

Information card for entry 1508074

Preview

Coordinates	1508074.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C26 H48 N2 Si2 U
Calculated formula	C26 H48 N2 Si2 U
SMILES	[U]123456789(N([Si](C)(C)C)[Si](C)(C)C)(NC[c]%103[c]2([c]1([c]5([c]4%10C)C)C)C)[c]1([c]6([c]7([c]8([c]91C)C)C)C)C
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	31.4069 ± 0.0019 Å
b	31.4069 ± 0.0019 Å
c	23.029 ± 0.003 Å
α	90°
β	90°
γ	90°
Cell volume	22716 ± 4 Å³
Cell temperature	140 ± 1 K
Ambient diffraction temperature	140 ± 1 K
Number of distinct elements	5
Space group number	88
Hermann-Mauguin space group symbol	I 41/a :2
Hall space group symbol	-I 4ad
Residual factor for all reflections	0.0478
Residual factor for significantly intense reflections	0.0294
Weighted residual factors for significantly intense reflections	0.067
Weighted residual factors for all reflections included in the refinement	0.0737
Goodness-of-fit parameter for all reflections included in the refinement	1.014
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.	1508074.cif
120071	2014-07-11	Adding DOIs to range 1 structures.	1508074.cif
86227	2013-05-10	smi/1 Adding SMILES for boranes, metalocenes, metal carbonyls and others in subdir 1	1508074.cif
62620	2012-07-09	cif/ Adding structures of 1508074 via cif-deposit CGI script.	1508074.cif