Information card for entry 1564920

Structure parameters

• Formula: C60 H20 Al2 As2 F72 Mo4 O16 P2
• Calculated formula: C60 H20 Al2 As2 F72 Mo4 O16 P2
• Title of publication: Structural Diversity of Mixed Polypnictogen Complexes: Dicationic E2E'2 (E, E' = P, As, Sb, Bi) Chains, Cycles and Cages Stabilized by Transition Metals
• Authors of publication: Dütsch, Luis; Riesinger, Christoph; Balazs, Gabor; Seidl, Michael; Scheer, Manfred
• Journal of publication: Chemical Science
• Year of publication: 2021
• a: 15.48296 ± 0.00015 Å
• b: 21.4711 ± 0.0002 Å
• c: 26.9785 ± 0.0003 Å
• α: 90°
• β: 90.8706 ± 0.0009°
• γ: 90°
• Cell volume: 8967.59 ± 0.16 ų
• Cell temperature: 123.1 ± 0.1 K
• Ambient diffraction temperature: 123.1 ± 0.1 K
• Number of distinct elements: 8
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0964
• Weighted residual factors for all reflections included in the refinement: 0.0985
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No