Crystallography Open Database

Information card for entry 1543291

Preview

Coordinates	1543291.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C55 H116 K2 O16 S2 Si4 U
Calculated formula	C55 H116 K2 O16 S2 Si4 U
Title of publication	Synthesis and reactivity of a terminal uranium(iv) sulfide supported by siloxide ligands
Authors of publication	Andrez, Julie; Pécaut, Jacques; Scopelliti, Rosario; Kefalidis, Christos E.; Maron, Laurent; Rosenzweig, Michael W.; Meyer, Karsten; Mazzanti, Marinella
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	9
Pages of publication	5846
a	19.2882 ± 0.0005 Å
b	19.378 ± 0.0005 Å
c	40.5378 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	15151.7 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	61
Hermann-Mauguin space group symbol	P b c a
Hall space group symbol	-P 2ac 2ab
Residual factor for all reflections	0.109
Residual factor for significantly intense reflections	0.055
Weighted residual factors for significantly intense reflections	0.0976
Weighted residual factors for all reflections included in the refinement	0.1153
Goodness-of-fit parameter for all reflections included in the refinement	1.082
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
186333 (current)	2016-09-10	cif/ Updating files of 1543284, 1543285, 1543286, 1543287, 1543288, 1543289, 1543290, 1543291, 1543292 Original log message: Adding full bibliography for 1543284--1543292.cif.	1543291.cif
182867	2016-05-11	cif/ Adding structures of 1543284, 1543285, 1543286, 1543287, 1543288, 1543289, 1543290, 1543291, 1543292 via cif-deposit CGI script.	1543291.cif