Information card for entry 7706464

Structure parameters

• Chemical name: AS-418-2
• Formula: C50 H69 Li O16 P2 W2
• Calculated formula: C50 H69 Li O16 P2 W2
• Title of publication: Molecular 1,1'-bifunctional mixed-valence P-P compounds, enabled through metal complexation.
• Authors of publication: Schmer, Alexander; Bauza, Antonio; Schnakenburg, Gregor; Frontera, Antonio; Streubel, Rainer
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2131 - 2137
• a: 12.8111 ± 0.0006 Å
• b: 20.0384 ± 0.0006 Å
• c: 22.5678 ± 0.0007 Å
• α: 100.106 ± 0.003°
• β: 98.87 ± 0.004°
• γ: 99.627 ± 0.003°
• Cell volume: 5521.8 ± 0.4 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: 0.1587
• Residual factor for significantly intense reflections: 0.1337
• Weighted residual factors for significantly intense reflections: 0.2269
• Weighted residual factors for all reflections included in the refinement: 0.2383
• Goodness-of-fit parameter for all reflections included in the refinement: 1.244
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No