Crystallography Open Database

Information card for entry 7717383

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Coordinates	7717383.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C112 H136 K4 N20 O4 U2
Calculated formula	C112 H136 K4 N20 O4 U2
Title of publication	Controlled and sequential single-electron reduction of the uranyl dication.
Authors of publication	Obey, Tom J. N.; Nichol, Gary S.; Love, Jason B.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2024
Journal volume	53
Journal issue	39
Pages of publication	16229 - 16240
a	12.5339 ± 0.0003 Å
b	12.5763 ± 0.0002 Å
c	19.5151 ± 0.0005 Å
α	76.777 ± 0.002°
β	79.539 ± 0.002°
γ	68.993 ± 0.002°
Cell volume	2778.75 ± 0.11 Å³
Cell temperature	120 ± 0.1 K
Ambient diffraction temperature	120 ± 0.1 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.042
Residual factor for significantly intense reflections	0.0328
Weighted residual factors for significantly intense reflections	0.0699
Weighted residual factors for all reflections included in the refinement	0.074
Goodness-of-fit parameter for all reflections included in the refinement	1.052
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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