Information card for entry 7037936

Structure parameters

• Formula: C59 H44 Mo2 O13 P2
• Calculated formula: C59 H44 Mo2 O13 P2
• SMILES: [C@]12(c3c(cccc3)[P@]([C@@H]3[C@H]1C1=C(c4ccccc4)O[P@]([C@H]1C=C3)(C(c1ccccc1)(c1ccccc1)c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])O2)c1ccccc1.CCOCC.[C@@]12(c3c(cccc3)[P@@]([C@H]3[C@@H]1C1=C(c4ccccc4)O[P@@]([C@@H]1C=C3)(C(c1ccccc1)(c1ccccc1)c1ccccc1)[Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])([Mo](C#[O])(C#[O])(C#[O])(C#[O])C#[O])O2)c1ccccc1.CCOCC
• 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: 13.286 ± 0.008 Å
• b: 18.409 ± 0.009 Å
• c: 23.093 ± 0.01 Å
• α: 90°
• β: 103.99 ± 0.04°
• γ: 90°
• Cell volume: 5481 ± 5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1109
• Residual factor for significantly intense reflections: 0.0492
• Weighted residual factors for significantly intense reflections: 0.0858
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 0.789
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No