Information card for entry 7114362

Structure parameters

• Formula: C31 H21 N O5 P2 W
• Calculated formula: C31 H21 N O5 P2 W
• SMILES: [W]([PH](c1ccccc1)C(=P(c1ccccc1)(c1ccccc1)c1ccccc1)C#N)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Synthesis of the first 1,2,3,4-azatriphospholene complex
• Authors of publication: Hoffmann, Nils; Wismach, Cathleen; Jones, Peter G.; Streubel, Rainer; Huy, Ngoc Hoa Tran; Mathey, François
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 5
• Pages of publication: 454 - 455
• a: 12.6819 ± 0.0008 Å
• b: 17.0312 ± 0.001 Å
• c: 13.7777 ± 0.0008 Å
• α: 90°
• β: 106.733 ± 0.003°
• γ: 90°
• Cell volume: 2849.8 ± 0.3 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• 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: 0.0217
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0495
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No