Information card for entry 1556904

Structure parameters

• Formula: C69 H85 Ag F12 N6 O6 Pt Sb2
• Calculated formula: C69 H85 Ag F12 N6 O6 Pt Sb2
• SMILES: [F-][Sb](F)(F)(F)(F)F.CC(C)(C)c1cc(cc(c2cccc3c4cn(c5cc(cc(c5)C(C)(C)C)C(C)(C)C)n[n]4[Pt]45([n]6c7cccc6c6cccc(c8ccc(OCCOCCOCCOCCOc9ccc7c4c9)cc8)[n]56)[Ag]([O](CC)CC)[n]23)c1)C(C)(C)C.[Sb](F)(F)(F)(F)(F)[F-]
• Title of publication: Rotaxane PtII-complexes: mechanical bonding for chemically robust luminophores and stimuli responsive behaviour
• Authors of publication: Zhang, Zhihui; Tizzard, Graham J.; Williams, J. A. Gareth; Goldup, Stephen M.
• Journal of publication: Chemical Science
• Year of publication: 2020
• Journal volume: 11
• Journal issue: 7
• Pages of publication: 1839 - 1847
• a: 18.7462 ± 0.0004 Å
• b: 15.4022 ± 0.0003 Å
• c: 27.6759 ± 0.0005 Å
• α: 90°
• β: 104.791 ± 0.002°
• γ: 90°
• Cell volume: 7726.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1755
• Weighted residual factors for all reflections included in the refinement: 0.1971
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No