Information card for entry 4329290

Structure parameters

• Formula: C37 H41 Mo5 O19 P W
• Calculated formula: C37 H41 Mo5 O19 P W
• SMILES: [O]12345[W]6789%10%11%12(O[Mo]%13%142(O[Mo]21(O%10)(O[Mo]15(O%13)(=O)O[Mo]3(O9)(O2)(O[Mo]4(O%14)(O8)(O1)=O)=O)=O)=O)[c]1([c]%11([c]%12([c]6([c]71C)C)C)C)C.[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: 14.9089 ± 0.0005 Å
• b: 13.8674 ± 0.0005 Å
• c: 21.3702 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4418.2 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• 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: 0.0543
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for significantly intense reflections: 0.0733
• Weighted residual factors for all reflections included in the refinement: 0.0809
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No