Information card for entry 7122001

Structure parameters

• Formula: C40 H34 Cu2 F9 N13.858 O15.743 P S7
• Calculated formula: C40 H34 Cu2 F9 N13.858 O15.744 P S7
• 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: 11.358 ± 0.004 Å
• b: 16.28 ± 0.005 Å
• c: 16.681 ± 0.007 Å
• α: 99.03 ± 0.016°
• β: 108.218 ± 0.016°
• γ: 92.693 ± 0.012°
• Cell volume: 2878.3 ± 1.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1299
• Residual factor for significantly intense reflections: 0.0744
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No