Information card for entry 7122004

Structure parameters

• Formula: C114 H114 B5 Cu6 F18 N42 O20 P2 S12
• Calculated formula: C114 H114 B5 Cu6 F18 N42 O20 P2 S12
• Title of publication: Dihydrogen phosphate-containing dinuclear double assemblies that demonstrate phosphate reactivity to the tetrafluoroborate anion.
• Authors of publication: Faulkner, Robert A.; Patmore, Nathan J.; Rice, Craig R.; Slater, Christopher
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 66
• Pages of publication: 9159 - 9162
• a: 12.3871 ± 0.0008 Å
• b: 24.199 ± 0.002 Å
• c: 32.271 ± 0.004 Å
• α: 78.661 ± 0.007°
• β: 85.813 ± 0.009°
• γ: 78.326 ± 0.007°
• Cell volume: 9282.8 ± 1.5 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2929
• Weighted residual factors for all reflections included in the refinement: 0.3299
• Goodness-of-fit parameter for all reflections included in the refinement: 1.2535
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No