Information card for entry 7122002

Structure parameters

• Formula: C43 H42 Cu2 F9 N12 O13 P S7
• Calculated formula: C43 H42 Cu2 F9 N12 O13 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: 14.629 ± 0.005 Å
• b: 15.453 ± 0.006 Å
• c: 17.397 ± 0.006 Å
• α: 93.102 ± 0.018°
• β: 103.018 ± 0.014°
• γ: 95.287 ± 0.015°
• Cell volume: 3804 ± 2 ų
• Cell temperature: 150 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: 0.1334
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1957
• Weighted residual factors for all reflections included in the refinement: 0.2317
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No