Information card for entry 4089481

Structure parameters

• Formula: C29 H30 Mo O4 P2
• Calculated formula: C29 H30 Mo O4 P2
• SMILES: [Mo]1([P](c2ccc3c4c(ccc([P]1(C(C)C)C(C)C)c24)CC3)(c1ccccc1)C)(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: peri-Substituted Phosphino-Phosphonium Salts: Synthesis and Reactivity
• Authors of publication: Ray, Matthew J.; Slawin, Alexandra M. Z.; Bühl, Michael; Kilian, Petr
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 12
• Pages of publication: 3481
• a: 16.842 ± 0.002 Å
• b: 14.759 ± 0.003 Å
• c: 21.708 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5396 ± 1.5 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections included in the refinement: 0.119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.278
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No