Information card for entry 7059734

Structure parameters

• Common name: (PPh4)4[(WO2)4(9HL)4].4MeOH.3H2O
• Formula: C152 H122 O35 P4 W4
• Calculated formula: C148 H100 O28 P4 W4
• Title of publication: A new fluorone-based bridging ligand for discrete and polymeric assemblies including Mo and W based [4+4] metallocycles
• Authors of publication: Sutton, Ashley L.; Abrahams, Brendan F.; Hudson, Timothy A.; Robson, Richard
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 27
• Pages of publication: 11437 - 11440
• a: 30.2142 ± 0.0002 Å
• b: 30.2142 ± 0.0002 Å
• c: 14.7473 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 13462.8 ± 0.2 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• Space group number: 96
• Hermann-Mauguin space group symbol: P 43 21 2
• Hall space group symbol: P 4nw 2abw
• Residual factor for all reflections: 0.0446
• Residual factor for significantly intense reflections: 0.0406
• Weighted residual factors for significantly intense reflections: 0.1027
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No