Crystallography Open Database

Information card for entry 4343412

Preview

Coordinates	4343412.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H78 Cu4 N8 O60 U5
Calculated formula	C136 H72 Cu4 N8 O60 U5
Title of publication	Uranyl Ion Complexes with 1,1'-Biphenyl-2,2',6,6'-tetracarboxylic Acid: Structural and Spectroscopic Studies of One- to Three-Dimensional Assemblies.
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	Inorganic chemistry
Year of publication	2015
Journal volume	54
Journal issue	13
Pages of publication	6296 - 6305
a	17.1003 ± 0.0004 Å
b	14.912 ± 0.0005 Å
c	25.7571 ± 0.0008 Å
α	90°
β	94.538 ± 0.002°
γ	90°
Cell volume	6547.5 ± 0.3 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
Space group number	14
Hermann-Mauguin space group symbol	P 1 21/c 1
Hall space group symbol	-P 2ybc
Residual factor for all reflections	0.0579
Residual factor for significantly intense reflections	0.0437
Weighted residual factors for significantly intense reflections	0.0949
Weighted residual factors for all reflections included in the refinement	0.0982
Goodness-of-fit parameter for all reflections included in the refinement	1.165
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
154600 (current)	2015-09-06	cif/ Updating files of 4343408, 4343409, 4343410, 4343411, 4343412, 4343413 Original log message: Adding full bibliography for 4343408--4343413.cif.	4343412.cif
139515	2015-06-24	cif/ Adding structures of 4343408, 4343409, 4343410, 4343411, 4343412, 4343413 via cif-deposit CGI script.	4343412.cif