Information card for entry 7037935

Structure parameters

• Formula: C31 H21 Mo O6 P
• Calculated formula: C31 H21 Mo O6 P
• SMILES: [C@@H]1(c2ccccc2)O[P@]1(C(c1ccccc1)(c1ccccc1)c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: CPh3 as a functional group in P-heterocyclic chemistry: elimination of HCPh3 in the reaction of P-CPh3 substituted Li/Cl phosphinidenoid complexes with Ph2C[double bond, length as m-dash]O.
• Authors of publication: García, C Murcia; Ferao, A. Espinosa; Schnakenburg, G.; Streubel, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2378 - 2385
• a: 8.6515 ± 0.0003 Å
• b: 15.6935 ± 0.0004 Å
• c: 19.977 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2712.32 ± 0.16 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0646
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.84
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No