Information card for entry 4085811

Structure parameters

• Formula: C24 H25 Mo O7 P
• Calculated formula: C24 H25 Mo O7 P
• SMILES: [C@@]12([C@]3([C@H](C)O[P@]([C@H]([C@@]3(C)C(=C1C)C)c1ccccc1)(O2)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)C.[C@]12([C@@]3([C@@H](C)O[P@@]([C@@H]([C@]3(C)C(=C1C)C)c1ccccc1)(O2)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])C)C
• Title of publication: Evidence for Terminal Phosphinidene Oxide Complexes in O,P,C-Cage Complex Formation: Rearrangement of Oxaphosphirane Complexes
• Authors of publication: Streubel, Rainer; Murcia-García, Cristina; Schnakenburg, Gregor; Espinosa Ferao, Arturo
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2676
• a: 10.483 ± 0.0002 Å
• b: 15.8099 ± 0.0003 Å
• c: 14.8749 ± 0.0003 Å
• α: 90°
• β: 99.641 ± 0.001°
• γ: 90°
• Cell volume: 2430.48 ± 0.08 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0373
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No