Information card for entry 7122003

Structure parameters

• Formula: C40 H40 B4 Cu2 F14 N12 O4.5 P S4
• Calculated formula: C40 H40 B4 Cu2 F14 N12 O4.5 P S4
• 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: 22.4423 ± 0.0011 Å
• b: 22.4423 ± 0.0011 Å
• c: 20.6438 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 10397.4 ± 0.9 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 9
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.1445
• Residual factor for significantly intense reflections: 0.0804
• Weighted residual factors for significantly intense reflections: 0.219
• Weighted residual factors for all reflections included in the refinement: 0.2635
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No