Information card for entry 1556902

Structure parameters

• Formula: C65 H76 F6 N6 O6 Pt Sb
• Calculated formula: C65 H76 F6 N6 O6 Pt Sb
• SMILES: [F-][Sb](F)(F)(F)(F)F.c12[n]3[Pt]45(O)(c6c(c7cccc(c3ccc2)[n]47)ccc(c6)OCCOCCOCCOCCOc2ccc1cc2)[n]1c(cccc1c1cn(n[n]51)c1cc(C(C)(C)C)cc(C(C)(C)C)c1)c1cc(cc(C(C)(C)C)c1)C(C)(C)C
• 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: 11.78747 ± 0.00013 Å
• b: 15.5279 ± 0.0002 Å
• c: 22.4447 ± 0.0003 Å
• α: 101.252 ± 0.0011°
• β: 102.144 ± 0.001°
• γ: 103.723 ± 0.001°
• Cell volume: 3769.49 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No