Crystallography Open Database

Information card for entry 7224011

Preview

Coordinates	7224011.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C123 H87 N17 Ni2 O43 S6 U5
Calculated formula	C123 H87 N17 Ni2 O43 S6 U5
Title of publication	Counter-ion control of structure in uranyl ion complexes with 2,5-thiophenedicarboxylate
Authors of publication	Thuéry, Pierre; Harrowfield, Jack
Journal of publication	CrystEngComm
Year of publication	2016
Journal volume	18
Journal issue	9
Pages of publication	1550
a	13.7804 ± 0.0003 Å
b	15.5944 ± 0.0003 Å
c	18.0932 ± 0.0004 Å
α	67.6388 ± 0.0009°
β	69.388 ± 0.0009°
γ	76.7394 ± 0.0011°
Cell volume	3345.09 ± 0.13 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 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	0.0746
Residual factor for significantly intense reflections	0.0685
Weighted residual factors for significantly intense reflections	0.1862
Weighted residual factors for all reflections included in the refinement	0.1898
Goodness-of-fit parameter for all reflections included in the refinement	1.096
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7224011.html