Crystallography Open Database

Information card for entry 7031741

Preview

Coordinates	7031741.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C46.5 H57.5 B2 N12 O U
Calculated formula	C46.5 H54 B2 N12 O U
Title of publication	Isolation of a uranium(iii) benzophenone ketyl radical that displays redox-active ligand behaviour.
Authors of publication	Matson, Ellen M.; Kiernicki, John J.; Anderson, Nickolas H.; Fanwick, Phillip E.; Bart, Suzanne C.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2014
Journal volume	43
Journal issue	48
Pages of publication	17885 - 17888
a	11.0395 ± 0.0008 Å
b	13.5231 ± 0.0009 Å
c	17.6638 ± 0.0018 Å
α	72.59 ± 0.005°
β	86.21 ± 0.005°
γ	67.426 ± 0.004°
Cell volume	2319.9 ± 0.3 Å³
Cell temperature	150 ± 0.02 K
Ambient diffraction temperature	150 ± 0.02 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.069
Residual factor for significantly intense reflections	0.068
Weighted residual factors for significantly intense reflections	0.179
Weighted residual factors for all reflections included in the refinement	0.18
Goodness-of-fit parameter for all reflections included in the refinement	1.086
Diffraction radiation wavelength	1.54184 Å
Diffraction radiation type	CU-Kα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
176453 (current)	2016-02-16	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 7.	7031741.cif
128375	2014-12-06	cif/ Updating files of 7031741 Original log message: Adding full bibliography for 7031741.cif.	7031741.cif
120769	2014-07-25	cif/ Adding structures of 7031741 via cif-deposit CGI script.	7031741.cif