Information card for entry 7712188

Structure parameters

• Formula: C41 H41 B Cl F4 N11 O6 Pd
• Calculated formula: C41 H41 B Cl F4 N11 O6 Pd
• SMILES: [n]12c3cccc1c1[n]4nn(CCOc5ccc(OCCNC(=O)c6cc(C(=O)NCCOc7ccc(OCCn8cc3[n]([Pd]24Cl)n8)cc7)ccc6)cc5)c1.N#CC.N#CC.[B](F)(F)(F)[F-]
• 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: 9.3736 ± 0.0004 Å
• b: 14.5616 ± 0.0007 Å
• c: 17.2045 ± 0.0005 Å
• α: 75.166 ± 0.003°
• β: 77.178 ± 0.003°
• γ: 75.894 ± 0.004°
• Cell volume: 2169.5 ± 0.16 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: 0.0682
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No