Crystallography Open Database

Information card for entry 4328767

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Coordinates	4328767.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	neptunium 1,2-Phenyldiphosphonate cluster
Formula	C72 H30 N32.11 Np12 O159 P24 Rb3.89
Calculated formula	C72 H48 N32.1 Np12 O159 P24 Rb3.9
Title of publication	Periodic Trends in Hexanuclear Actinide Clusters
Authors of publication	Juan Diwu; Shuao Wang; Thomas E. Albrecht-Schmitt
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	4088 - 4093
a	17.1998 ± 0.0007 Å
b	17.1998 ± 0.0007 Å
c	17.1998 ± 0.0007 Å
α	97.14°
β	97.14°
γ	97.14°
Cell volume	4958.9 ± 0.3 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 K
Number of distinct elements	7
Space group number	148
Hermann-Mauguin space group symbol	R -3 :R
Hall space group symbol	-P 3*
Residual factor for all reflections	0.0499
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.1022
Weighted residual factors for all reflections included in the refinement	0.1106
Goodness-of-fit parameter for all reflections included in the refinement	1.018
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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