Crystallography Open Database

Information card for entry 7705222

Preview

Coordinates	7705222.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Bis(1,2,3,4-tetrakis(iso-propyl)cyclopentadienyl)-(tert-butyl-isocyano)-iodo-uranium(iii)
Formula	C39 H67 I N U
Calculated formula	C39 H67 I N U
SMILES	[U]12345678(I)([cH]9[c]3([c]2(C(C)C)[c]6([c]89C(C)C)C(C)C)C(C)C)([cH]2[c]1([c]4(C(C)C)[c]5([c]72C(C)C)C(C)C)C(C)C)C#[N]C(C)(C)C
Title of publication	Isocyanide adducts of tri- and tetravalent uranium metallocenes supported by tetra(isopropyl)cyclopentadienyl ligands.
Authors of publication	Boreen, Michael A.; Groß, Oliver A; Hohloch, Stephan; Arnold, John
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	34
Pages of publication	11971 - 11977
a	10.3988 ± 0.0009 Å
b	11.2181 ± 0.0011 Å
c	18.702 ± 0.002 Å
α	100.465 ± 0.005°
β	96.791 ± 0.005°
γ	110.915 ± 0.004°
Cell volume	1963.8 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0613
Residual factor for significantly intense reflections	0.0452
Weighted residual factors for significantly intense reflections	0.1108
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	1.048
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
256104 (current)	2020-09-06	cif/ Updating files of 7705221, 7705222, 7705223 Original log message: Adding full bibliography for 7705221--7705223.cif.	7705222.cif
255469	2020-08-20	cif/ Adding structures of 7705221, 7705222, 7705223 via cif-deposit CGI script.	7705222.cif