Information card for entry 4323908

Structure parameters

• Formula: C51 H51 Mo O6 P3
• Calculated formula: C51 H51 Mo O6 P3
• SMILES: [Mo]12([P](C3(CC([P]2(c2ccccc2)c2ccccc2)(CC([P]1(c1ccccc1)c1ccccc1)(C3)COC)COC)COC)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O]
• Title of publication: The Mo(CO)3 Fragment as an Organometallic Protection Group in the Synthesis of Functionalized Tripodal Phosphine Ligands
• Authors of publication: Philipp Stössel; Hermann A. Mayer; Cäcilia Maichle-Mössmer; Riad Fawzi; Manfred Steimann
• Journal of publication: Inorganic Chemistry
• Year of publication: 1996
• Journal volume: 35
• Pages of publication: 5860 - 5867
• a: 11.705 ± 0.005 Å
• b: 16.941 ± 0.009 Å
• c: 22.526 ± 0.009 Å
• α: 90°
• β: 96.51 ± 0.03°
• γ: 90°
• Cell volume: 4438 ± 4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0789
• Residual factor for significantly intense reflections: 0.054
• Weighted residual factors for all reflections: 0.1599
• Weighted residual factors for significantly intense reflections: 0.1375
• Goodness-of-fit parameter for all reflections: 1.544
• Goodness-of-fit parameter for significantly intense reflections: 1.612
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No