Crystallography Open Database

Information card for entry 4110792

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Structure parameters

Formula	C56 H62 Mn N8 O5 U
Calculated formula	C56 H62 Mn N8 O5 U
Title of publication	Selective Oxo Functionalization of the Uranyl Ion with 3d Metal Cations
Authors of publication	Polly L. Arnold; Dipti Patel; Alexander J. Blake; Claire Wilson; Jason B. Love
Journal of publication	Journal of the American Chemical Society
Year of publication	2006
Journal volume	128
Pages of publication	9610 - 9611
a	16.1885 ± 0.001 Å
b	17.2338 ± 0.001 Å
c	18.3734 ± 0.0011 Å
α	90°
β	90°
γ	90°
Cell volume	5126 ± 0.5 Å³
Cell temperature	150 ± 2 K
Ambient diffraction temperature	150 ± 2 K
Number of distinct elements	6
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	0.0391
Residual factor for significantly intense reflections	0.0335
Weighted residual factors for significantly intense reflections	0.0795
Weighted residual factors for all reflections included in the refinement	0.0833
Goodness-of-fit parameter for all reflections included in the refinement	1.026
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
Has F_obs	No

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