Crystallography Open Database

Information card for entry 1546247

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Structure parameters

Formula	C66 H144 K N2 O22 Si4 U
Calculated formula	C66 H144 K N2 O22 Si4 U
SMILES	[U](O[Si](OC(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)(O[Si](OC(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]1234567[O]8CC[N]96CC[O]3CC[O]2CC[N]7(CC[O]1CC8)CC[O]5CC[O]4CC9
Title of publication	Metathesis of a UV imido complex: a route to a terminal UV sulfide
Authors of publication	Kelly, Rory P.; Falcone, Marta; Lamsfus, Carlos Alvarez; Scopelliti, Rosario; Maron, Laurent; Meyer, Karsten; Mazzanti, Marinella
Journal of publication	Chem. Sci.
Year of publication	2017
a	25.92909 ± 0.00016 Å
b	26.18261 ± 0.00018 Å
c	26.16679 ± 0.00016 Å
α	90°
β	90°
γ	90°
Cell volume	17764.4 ± 0.2 Å³
Cell temperature	100.01 ± 0.1 K
Ambient diffraction temperature	100.01 ± 0.1 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0312
Residual factor for significantly intense reflections	0.0301
Weighted residual factors for significantly intense reflections	0.0677
Weighted residual factors for all reflections included in the refinement	0.0683
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
301779 (current)	2025-08-18	Add cross-references to PubChem compounds in COD range 1/54 Each referenced PubChem compound corresponds to the full crystal structure.	1546247.cif
197542	2017-06-06	cif/ Adding structures of 1546246, 1546247, 1546248, 1546249, 1546250 via cif-deposit CGI script.	1546247.cif