Information card for entry 7219339

Structure parameters

• Formula: C31 H16 F5 O6 P W
• Calculated formula: C31 H16 F5 O6 P W
• SMILES: [W]([P@@]1(O[C@@H]1c1c(F)c(F)c(F)c(F)c1F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@]1(O[C@H]1c1c(F)c(F)c(F)c(F)c1F)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Surprising behaviour of M‒CO(lone pair)⋯π(arene) interactions in the solid state of fluorinated oxaphosphirane complexes
• Authors of publication: Murcia-García, Cristina; Bauzá, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 8
• Pages of publication: 1769
• a: 36.0465 ± 0.001 Å
• b: 9.5603 ± 0.0003 Å
• c: 16.5305 ± 0.0004 Å
• α: 90°
• β: 93.8297 ± 0.0017°
• γ: 90°
• Cell volume: 5683.9 ± 0.3 ų
• Cell temperature: 123 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0857
• Weighted residual factors for all reflections included in the refinement: 0.0931
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No