Information card for entry 4122642

Structure parameters

• Formula: C36 H25 B F4 Mo O3 P2
• Calculated formula: C36 H25 B F4 Mo O3 P2
• SMILES: [Mo]1234([P]56P(C7c8c(C5c5c7cccc5)cccc8)C5c7c(C6c6c5cccc6)cccc7)(C#[O])(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45.[B](F)(F)(F)[F-]
• Title of publication: A retro diels-alder route to diphosphorus chemistry: molecular precursor synthesis, kinetics of p2 transfer to 1,3-dienes, and detection of p2 by molecular beam mass spectrometry.
• Authors of publication: Velian, Alexandra; Nava, Matthew; Temprado, Manuel; Zhou, Yan; Field, Robert W.; Cummins, Christopher C.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Journal volume: 136
• Journal issue: 39
• Pages of publication: 13586 - 13589
• a: 15.716 ± 0.003 Å
• b: 19.409 ± 0.004 Å
• c: 20.207 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6164 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0377
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0902
• Goodness-of-fit parameter for all reflections included in the refinement: 1.101
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No