Crystallography Open Database

Information card for entry 7117745

Preview

Coordinates	7117745.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Tp*2UF
Formula	C34 H45 B2 F N12 O U
Calculated formula	C34 H45 B2 F N12 O U
SMILES	[U]1234(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.O1CCCC1
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	10.4532 ± 0.0003 Å
b	11.0258 ± 0.0003 Å
c	18.1147 ± 0.0007 Å
α	102.153 ± 0.001°
β	98.067 ± 0.001°
γ	96.74 ± 0.001°
Cell volume	1997.41 ± 0.11 Å³
Cell temperature	200 ± 2 K
Ambient diffraction temperature	200 ± 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	0.0589
Residual factor for significantly intense reflections	0.0364
Weighted residual factors for significantly intense reflections	0.0732
Weighted residual factors for all reflections included in the refinement	0.0803
Goodness-of-fit parameter for all reflections included in the refinement	0.969
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
153894 (current)	2015-09-02	cif/ Adding structures of 7117745, 7117746 via cif-deposit CGI script.	7117745.cif