Information card for entry 7012862

Structure parameters

• Formula: H76 Mo22 N11 O94 P2 Sm
• Calculated formula: Mo22 N11 O94 P2 Sm
• Title of publication: A rare structural characterisation of the phosphomolybdate lacunary anion, [PMo11O39]7?. Crystal structures of the Ln(iii) complexes, (NH4)11[Ln(PMo11O39)2]�16H2O (Ln = CeIII, SmIII, DyIII or LuIII)Electronic supplementary information (ESI) available: IR, Raman and UV/vis/nIR spectra and TGA curves for 1?4. See http://www.rsc.org/suppdata/dt/b3/b301995k/
• Authors of publication: Gaunt, Andrew J.; May, Iain; Sarsfield, Mark J.; Collison, David; Helliwell, Madeleine; Denniss, Iain S.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 13
• Pages of publication: 2767
• a: 38 ± 0.03 Å
• b: 13.105 ± 0.01 Å
• c: 19.915 ± 0.01 Å
• α: 90°
• β: 117.77 ± 0.03°
• γ: 90°
• Cell volume: 8775 ± 11 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0939
• Residual factor for significantly intense reflections: 0.076
• Weighted residual factors for significantly intense reflections: 0.2037
• Weighted residual factors for all reflections included in the refinement: 0.2258
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No