Crystallography Open Database

Information card for entry 4344438

Preview

Coordinates	4344438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C72 H84 Mn N6 O16 U2
Calculated formula	C72 H84 Mn N6 O16 U2
Title of publication	A New Form of Triple-Stranded Helicate Found in Uranyl Complexes of Aliphatic α,ω-Dicarboxylates.
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	22
Pages of publication	10539 - 10541
a	13.4661 ± 0.0003 Å
b	13.4661 ± 0.0003 Å
c	22.3796 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	3514.52 ± 0.17 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	163
Hermann-Mauguin space group symbol	P -3 1 c
Hall space group symbol	-P 3 2c
Residual factor for all reflections	0.0454
Residual factor for significantly intense reflections	0.0374
Weighted residual factors for significantly intense reflections	0.0989
Weighted residual factors for all reflections included in the refinement	0.1036
Goodness-of-fit parameter for all reflections included in the refinement	1.077
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
170792 (current)	2015-12-06	cif/ Updating files of 4344436, 4344437, 4344438, 4344439, 4344440, 4344441 Original log message: Adding full bibliography for 4344436--4344441.cif.	4344438.cif
170027	2015-11-06	cif/ Adding structures of 4344436, 4344437, 4344438, 4344439, 4344440, 4344441 via cif-deposit CGI script.	4344438.cif