Crystallography Open Database

Information card for entry 7224013

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Coordinates	7224013.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C136 H104 Ag5 N21 O41 S6 U4
Calculated formula	C136 H96 Ag5 N21 O41 S6 U4
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	18.4849 ± 0.0002 Å
b	26.8834 ± 0.0006 Å
c	31.5917 ± 0.0008 Å
α	90°
β	90°
γ	90°
Cell volume	15699.1 ± 0.6 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	7
Space group number	19
Hermann-Mauguin space group symbol	P 21 21 21
Hall space group symbol	P 2ac 2ab
Residual factor for all reflections	0.0592
Residual factor for significantly intense reflections	0.0446
Weighted residual factors for significantly intense reflections	0.1066
Weighted residual factors for all reflections included in the refinement	0.1107
Goodness-of-fit parameter for all reflections included in the refinement	1.025
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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