Crystallography Open Database

Information card for entry 7717377

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Coordinates	7717377.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C40 H56 N6 O3 U
Calculated formula	C40 H56 N6 O3 U
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	11.5408 ± 0.0007 Å
b	11.7266 ± 0.0006 Å
c	15.0732 ± 0.0007 Å
α	81.684 ± 0.004°
β	84.377 ± 0.004°
γ	75.615 ± 0.005°
Cell volume	1951.09 ± 0.19 Å³
Cell temperature	120.01 ± 0.1 K
Ambient diffraction temperature	120.01 ± 0.1 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0515
Residual factor for significantly intense reflections	0.0393
Weighted residual factors for significantly intense reflections	0.098
Weighted residual factors for all reflections included in the refinement	0.1002
Goodness-of-fit parameter for all reflections included in the refinement	0.992
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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