Crystallography Open Database

Information card for entry 4306275

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Coordinates	4306275.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	H56 K11 O146 P4 Rb7 Ti9 W27
Calculated formula	K9 O137.5 P4 Rb4 Ti9 W27
Title of publication	Cyclic Ti9 Keggin Trimers with Tetrahedral (PO4) or Octahedral (TiO6) Capping Groups
Authors of publication	Ghada A. Al-Kadamany; Firasat Hussain; Sib Sankar Mal; Michael H. Dickman; Nathalie Leclerc-Laronze; Jérôme Marrot; Emmanuel Cadot; Ulrich Kortz
Journal of publication	Inorganic Chemistry
Year of publication	2008
Journal volume	47
Pages of publication	8574 - 8576
a	29.7444 ± 0.0007 Å
b	29.7444 ± 0.0007 Å
c	13.6254 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	10439.8 ± 0.8 Å³
Cell temperature	173 ± 2 K
Ambient diffraction temperature	173 ± 2 K
Number of distinct elements	7
Space group number	160
Hermann-Mauguin space group symbol	R 3 m :H
Hall space group symbol	R 3 -2"
Residual factor for all reflections	0.0792
Residual factor for significantly intense reflections	0.0639
Weighted residual factors for significantly intense reflections	0.1705
Weighted residual factors for all reflections included in the refinement	0.1853
Goodness-of-fit parameter for all reflections included in the refinement	1.064
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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