Crystallography Open Database

Information card for entry 4342611

Preview

Coordinates	4342611.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C34 H86 F6 N4 O8 S2 Si8 U2
Calculated formula	C34 H86 F6 N4 O8 S2 Si8 U2
SMILES	C[Si](C)(C)N([U]12([O]3CCCC3)(C[Si](C)(C)N1[Si](C)(C)C)[O]=S(O[U]1(C[Si](C)(C)N1[Si](C)(C)C)(N([Si](C)(C)C)[Si](C)(C)C)([O]=S(O2)(=O)C(F)(F)F)[O]1CCCC1)(=O)C(F)(F)F)[Si](C)(C)C
Title of publication	U(III)-CN versus U(IV)-NC Coordination in Tris(silylamide) Complexes.
Authors of publication	Hervé, Alexandre; Bouzidi, Yamina; Berthet, Jean-Claude; Belkhiri, Lotfi; Thuéry, Pierre; Boucekkine, Abdou; Ephritikhine, Michel
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	5
Pages of publication	2474
a	11.8587 ± 0.001 Å
b	11.991 ± 0.001 Å
c	12.5171 ± 0.0009 Å
α	92.187 ± 0.005°
β	104.462 ± 0.005°
γ	114.001 ± 0.004°
Cell volume	1554.7 ± 0.2 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0553
Residual factor for significantly intense reflections	0.0478
Weighted residual factors for significantly intense reflections	0.1246
Weighted residual factors for all reflections included in the refinement	0.1279
Goodness-of-fit parameter for all reflections included in the refinement	1.089
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
179529 (current)	2016-03-24	cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/26.	4342611.cif
132694	2015-03-04	cif/ Adding structures of 4342606, 4342607, 4342608, 4342609, 4342610, 4342611, 4342612, 4342613, 4342614 via cif-deposit CGI script.	4342611.cif