Information card for entry 4329292

Structure parameters

• Formula: C37 H41 Mo6 O19 P
• Calculated formula: C37 H41 Mo6 O19 P
• SMILES: [O]12345[Mo]678(O[Mo]9%10%11%12%13%142(O[Mo]21(O7)(O[Mo]15(O6)(=O)O[Mo]3(O9)(O8)(O[Mo]4(O2)(O%14)(O1)=O)=O)=O)[c]1([c]%10([c]%12([c]%13([c]%111C)C)C)C)C)=O.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.CC(=O)C
• Title of publication: Rational Synthesis and Characterization of the Mixed-Metal Organometallic Polyoxometalates [Cp*Mo~x~W~6-x~O~18~]^-^ (x = 0, 1, 5, 6)
• Authors of publication: Gülnur Taban-Çalişkan; Daniel Mesquita Fernandes; Jean-Claude Daran; Dominique Agustin; Funda Demirhan; Rinaldo Poli
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 5931 - 5940
• a: 14.8994 ± 0.0007 Å
• b: 13.8507 ± 0.0007 Å
• c: 21.2967 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4394.9 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.138
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No