Crystallography Open Database

Information card for entry 2012781

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Structure parameters

Chemical name	(Dibenzylsulfoxido-κO)bis(1,3-diphenylpropane-1,3-dionato- κ^2^O,O')dioxouranium(VI)
Formula	C44 H36 O7 S U
Calculated formula	C44 H36 O7 S U
SMILES	[U]12(=O)(=O)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)(OC(=CC(=[O]2)c1ccccc1)c1ccccc1)[O]=S(Cc1ccccc1)Cc1ccccc1
Title of publication	(Dibenzyl sulfoxide-κ<i>O</i>)bis(1,3-diphenylpropane-1,3-dionato-κ^2^<i>O</i>,<i>O</i>')dioxouranium(VI)
Authors of publication	Fun, Hoong-Kun; Kannan, S.; Usman, Anwar; Razak, Ibrahim Abdul; Chantrapromma, Suchada
Journal of publication	Acta Crystallographica Section C
Year of publication	2002
Journal volume	58
Journal issue	7
Pages of publication	m368 - m370
a	12.3178 ± 0.0001 Å
b	15.5281 ± 0.0001 Å
c	20.4617 ± 0.0001 Å
α	90°
β	90°
γ	90°
Cell volume	3913.75 ± 0.04 Å³
Cell temperature	183 ± 2 K
Ambient diffraction temperature	183 ± 2 K
Number of distinct elements	5
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	0.063
Residual factor for significantly intense reflections	0.048
Weighted residual factors for significantly intense reflections	0.104
Weighted residual factors for all reflections included in the refinement	0.121
Goodness-of-fit parameter for all reflections included in the refinement	0.977
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	Yes

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