Information card for entry 7712186

Structure parameters

• Formula: C41 H45 B Br F4 N9 O7 Pd
• Calculated formula: C41 H45 B Br F4 N9 O7 Pd
• Title of publication: Supramolecular chemistry of two new bis(1,2,3-triazolyl)pyridine macrocycles: metal complexation, self-assembly and anion binding.
• Authors of publication: David, Arthur H. G.; Goodwin, Rosemary J.; White, Nicholas G.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2023
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1902 - 1912
• a: 13.2676 ± 0.0003 Å
• b: 13.9658 ± 0.0004 Å
• c: 14.0241 ± 0.0004 Å
• α: 66.859 ± 0.003°
• β: 81.243 ± 0.002°
• γ: 71.62 ± 0.002°
• Cell volume: 2266.39 ± 0.12 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: 0.0367
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for all reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.0922
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0137
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No