Information card for entry 7705578

Structure parameters

• Chemical name: PJ-145
• Formula: C47 H40 Cl O6 P W
• Calculated formula: C47 H40 Cl O6 P W
• SMILES: [W]([P](Cl)(c1ccc(cc1)C(c1ccccc1)c1ccccc1)C(c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].O(CC)CC
• Title of publication: Formation and properties of phosphaquinomethane tungsten(0) complexes - isolation and conversion of primary radical coupling products.
• Authors of publication: Junker, Philip; Villalba Franco, José M; Schnakenburg, Gregor; Nesterov, Vitaly; Boere, René T; Qu, Zheng-Wang; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 39
• Pages of publication: 13544 - 13548
• a: 10.9641 ± 0.0008 Å
• b: 13.1791 ± 0.0008 Å
• c: 14.2135 ± 0.001 Å
• α: 80.151 ± 0.003°
• β: 84.789 ± 0.003°
• γ: 82.795 ± 0.003°
• Cell volume: 2002.5 ± 0.2 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.0186
• Weighted residual factors for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections included in the refinement: 0.0445
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No