Information card for entry 7042059

Structure parameters

• Chemical name: PB-47
• Formula: C30 H23 F6 Ge O7 P W
• Calculated formula: C30 H23 F6 Ge O7 P W
• SMILES: [W]([P]1(O[Ge](OC(C1)(C(F)(F)F)C(F)(F)F)(C)C)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Ring opening of a sterically crowded 1,2-oxaphosphetane complex.
• Authors of publication: Kyri, A. W.; Brehm, P.; Schnakenburg, G.; Streubel, R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 2904 - 2909
• a: 9.0079 ± 0.0002 Å
• b: 13.1369 ± 0.0003 Å
• c: 13.2698 ± 0.0002 Å
• α: 92.897 ± 0.001°
• β: 97.673 ± 0.001°
• γ: 90.171 ± 0.001°
• Cell volume: 1554.17 ± 0.05 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0263
• Weighted residual factors for significantly intense reflections: 0.0611
• Weighted residual factors for all reflections included in the refinement: 0.0628
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No