Crystallography Open Database

Information card for entry 4103087

Preview

Coordinates	4103087.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	U18Py2PCP6
Formula	C6 K11 O127 P16 U18.5
Calculated formula	C6 K11 O127 P16 U18.5
Title of publication	Uranium Pyrophosphate/Methylenediphosphonate Polyoxometalate Cage Clusters
Authors of publication	Jie Ling; Jie Qiu; Ginger E. Sigmon; Matthew Ward; Jennifer E. S. Szymanowski; Peter C. Burns
Journal of publication	Journal of the American Chemical Society
Year of publication	2010
Journal volume	132
Pages of publication	13395 - 13402
a	18.4363 ± 0.0009 Å
b	19.1408 ± 0.001 Å
c	31.0479 ± 0.0016 Å
α	89.481 ± 0.001°
β	79.964 ± 0.001°
γ	62.354 ± 0.001°
Cell volume	9524.5 ± 0.8 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 2 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	0.0512
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0909
Weighted residual factors for all reflections included in the refinement	0.094
Goodness-of-fit parameter for all reflections included in the refinement	0.97
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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