Crystallography Open Database

Information card for entry 1543104

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Coordinates	1543104.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C120 H204 N2 Na O6 Si8 U4
Calculated formula	C120 H204 N2 Na O6 Si8 U4
SMILES	[c]12([U]3456789%10%11%12([CH]%13=[CH]6[CH]7=[CH]8[C]9(=[CH]%10[CH]%11=[C]%12%13[Si](C)(C)C)[Si](C)(C)C)(=[N]=[U]6789%10%11%12%13%14%15%16([CH]%17=[CH]6[C]7(=[CH]8[CH]9=[CH]%10[CH]%11=[C]%12%17[Si](C)(C)C)[Si](C)(C)C)[c]6([c]%13([c]%14(C)[c]%15([c]%166C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C)C.[c]12([U]3456789%10%11%12([CH]%13=[CH]6[CH]7=[CH]8[C]9(=[CH]%10[CH]%11=[C]%12%13[Si](C)(C)C)[Si](C)(C)C)(=[N]=[U]6789%10%11%12%13%14%15%16([CH]%17=[CH]6[C]7(=[CH]8[CH]9=[CH]%10[CH]%11=[C]%12%17[Si](C)(C)C)[Si](C)(C)C)[c]6([c]%13([c]%14(C)[c]%15([c]%166C)C)C)C)[c]1([c]3([c]4([c]25C)C)C)C)C.[O]1(CCCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
Title of publication	Steric control of redox events in organo-uranium chemistry: synthesis and characterisation of U(v) oxo and nitrido complexes
Authors of publication	Tsoureas, Nikolaos; Kilpatrick, Alexander F. R.; Inman, Christopher J.; Cloke, F. Geoffrey N.
Journal of publication	Chem. Sci.
Year of publication	2016
Journal volume	7
Journal issue	7
Pages of publication	4624
a	12.3696 ± 0.0004 Å
b	13.4214 ± 0.0005 Å
c	21.7314 ± 0.0006 Å
α	98.997 ± 0.003°
β	99.477 ± 0.002°
γ	109.711 ± 0.003°
Cell volume	3261.6 ± 0.2 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0488
Residual factor for significantly intense reflections	0.0338
Weighted residual factors for significantly intense reflections	0.084
Weighted residual factors for all reflections included in the refinement	0.0908
Goodness-of-fit parameter for all reflections included in the refinement	1.024
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
282761 (current)	2023-04-20	cif/1 Fixing some Z values and formulae	1543104.cif
185121	2016-08-07	cif/ Updating files of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 Original log message: Adding full bibliography for 1543100--1543105.cif.	1543104.cif
182057	2016-04-13	cif/ Adding structures of 1543100, 1543101, 1543102, 1543103, 1543104, 1543105 via cif-deposit CGI script.	1543104.cif