Crystallography Open Database

Information card for entry 7117746

Preview

Coordinates	7117746.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tp*2UF2
Formula	C30 H43 B2 F2 N12 U
Calculated formula	C30 H43 B2 F2 N12 U
SMILES	[U]1234(F)(F)([n]5n(c(cc5C)C)[BH](n5[n]1c(cc5C)C)n1[n]2c(cc1C)C)[n]1n(c(cc1C)C)[BH](n1[n]3c(cc1C)C)n1[n]4c(cc1C)C
Title of publication	Synthesis of low-valent uranium fluorides by C-F bond activation
Authors of publication	Christopher L. Clark; Jill J. Lockhart; Phillip E. Fanwick; Suzanne C. Bart
Journal of publication	Chem.Commun.
Year of publication	2015
Journal volume	51
Pages of publication	14084
a	11.784 ± 0.0006 Å
b	22.3831 ± 0.001 Å
c	17.0603 ± 0.0007 Å
α	90°
β	93.165 ± 0.003°
γ	90°
Cell volume	4493 ± 0.4 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 2 K
Number of distinct elements	6
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	0.0977
Residual factor for significantly intense reflections	0.0634
Weighted residual factors for significantly intense reflections	0.1728
Weighted residual factors for all reflections included in the refinement	0.1879
Goodness-of-fit parameter for all reflections included in the refinement	0.982
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
153894 (current)	2015-09-02	cif/ Adding structures of 7117745, 7117746 via cif-deposit CGI script.	7117746.cif