Information card for entry 7705927

Structure parameters

• Chemical name: PJ-237
• Formula: C34 H46 N2 O10 P2 W2
• Calculated formula: C34 H46 N2 O10 P2 W2
• SMILES: [W]([P@@H]([P@H]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O].[W]([P@H]([P@@H]([W](C#[O])(C#[O])(C#[O])(C#[O])C#[O])N(C1CCCCC1)C1CCCCC1)N(C1CCCCC1)C1CCCCC1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: A case study on the conversion of Li/Cl phosphinidenoid into phosphinidene complexes.
• Authors of publication: Junker, Philip; Qu, Zheng-Wang; Kalisch, Tim; Schnakenburg, Gregor; Espinosa Ferao, Arturo; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 2
• Pages of publication: 739 - 745
• a: 11.588 ± 0.0005 Å
• b: 11.8529 ± 0.0005 Å
• c: 16.5434 ± 0.0007 Å
• α: 78.659 ± 0.004°
• β: 82.857 ± 0.003°
• γ: 62.42 ± 0.004°
• Cell volume: 1973.28 ± 0.16 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: 0.1039
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No