Crystallography Open Database

Information card for entry 4343535

Preview

Coordinates	4343535.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C82 H60 Co F15 O19 P4 S5 U
Calculated formula	C82 H60 Co F15 O19 P4 S5 U
Title of publication	Oxo Ligand Substitution in a Cationic Uranyl Complex: Synergistic Interaction of an Electrophile and a Reductant.
Authors of publication	Pedrick, Elizabeth A.; Wu, Guang; Hayton, Trevor W.
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	14
Pages of publication	7038 - 7044
a	15.665 ± 0.005 Å
b	15.876 ± 0.005 Å
c	19.073 ± 0.006 Å
α	90.641 ± 0.007°
β	91.942 ± 0.006°
γ	100.661 ± 0.006°
Cell volume	4658 ± 3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2767
Residual factor for significantly intense reflections	0.1029
Weighted residual factors for significantly intense reflections	0.2215
Weighted residual factors for all reflections included in the refinement	0.297
Goodness-of-fit parameter for all reflections included in the refinement	0.929
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

Version history

Revision	Date	Message	Files
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	4343535.cif
152831	2015-08-05	cif/ Updating files of 4343535, 4343536, 4343537 Original log message: Adding full bibliography for 4343535--4343537.cif.	4343535.cif
139964	2015-07-04	cif/ Adding structures of 4343535, 4343536, 4343537 via cif-deposit CGI script.	4343535.cif