Crystallography Open Database

Information card for entry 7127104

Preview

Coordinates	7127104.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	2-(dipp)2(Mes)
Chemical name	[MesPDIMe]U(N-dipp)2(N-Mes)
Formula	C65 H88 N6 U
Calculated formula	C65 H88 N6 U
SMILES	[U]12([N](=C(C)c3[n]1c(ccc3)C(=[N]2c1c(cc(cc1C)C)C)C)c1c(cc(cc1C)C)C)(=Nc1c(cccc1C(C)C)C(C)C)(=Nc1c(cccc1C(C)C)C(C)C)=Nc1c(cc(cc1C)C)C.CCCCC
Title of publication	Insight into geometric preferences in uranium(VI) mixed tris(imido) systems.
Authors of publication	Raghavan, Adharsh; Anderson, Nickolas H.; Tatebe, Caleb J.; Stanley, Dalton A.; Zeller, Matthias; Bart, Suzanne C.
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	75
Pages of publication	11138 - 11141
a	23.3078 ± 0.0012 Å
b	14.5446 ± 0.0004 Å
c	17.1713 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	5821.1 ± 0.4 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	4
Space group number	33
Hermann-Mauguin space group symbol	P n a 21
Hall space group symbol	P 2c -2n
Residual factor for all reflections	0.1034
Residual factor for significantly intense reflections	0.043
Weighted residual factors for significantly intense reflections	0.0715
Weighted residual factors for all reflections included in the refinement	0.0836
Goodness-of-fit parameter for all reflections included in the refinement	0.917
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
257255 (current)	2020-10-06	cif/ Updating files of 7127104, 7127105, 7127106 Original log message: Adding full bibliography for 7127104--7127106.cif.	7127104.cif
255501	2020-08-21	cif/ Adding structures of 7127104, 7127105, 7127106 via cif-deposit CGI script.	7127104.cif