Crystallography Open Database

Information card for entry 1543285

Preview

Coordinates	1543285.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C122 H256 K4 O38 S2 Si8 U2
Calculated formula	C122 H256 K4 O38 S2 Si8 U2
SMILES	[U]12(=S)([O]3[K]45([O]([Si]3(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)([O]1[Si]([O]4C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]2[Si]([O]5C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[U]12(=S)([O]3[K]45([O]([Si]3(OC(C)(C)C)OC(C)(C)C)C(C)(C)C)([O]1[Si]([O]4C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)[O]2[Si]([O]5C(C)(C)C)(OC(C)(C)C)OC(C)(C)C)O[Si](OC(C)(C)C)(OC(C)(C)C)OC(C)(C)C.[K]123[O]4CC[O]1CC[O]21[K]25[O]3(CC4)CC[O]2CC[O]5CC1.c1(ccccc1)C.c1(ccccc1)C
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	16.3304 ± 0.0014 Å
b	26.8 ± 0.0019 Å
c	18.8582 ± 0.0015 Å
α	90°
β	91.476 ± 0.009°
γ	90°
Cell volume	8250.6 ± 1.1 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 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	0.1642
Residual factor for significantly intense reflections	0.0778
Weighted residual factors for significantly intense reflections	0.1
Weighted residual factors for all reflections included in the refinement	0.1282
Goodness-of-fit parameter for all reflections included in the refinement	0.931
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.	1543285.cif
182867	2016-05-11	cif/ Adding structures of 1543284, 1543285, 1543286, 1543287, 1543288, 1543289, 1543290, 1543291, 1543292 via cif-deposit CGI script.	1543285.cif