Information card for entry 1557362

Structure parameters

• Formula: C33 H53 Cl2 N3 O4 Pt
• Calculated formula: C33 H53 Cl2 N3 O4 Pt
• SMILES: [Pt]12(Cl)[n]3ccccc3c3[n]1c(c1[n]2cccc1)cc(OCCCCCCCCCCCC)c3.[Cl-].OCC.OCC.OCC
• Title of publication: Self-healing, luminescent metallogelation driven by synergistic metallophilic and fluorine-fluorine interactions.
• Authors of publication: Kolari, Kalle; Bulatov, Evgeny; Tatikonda, Rajendhraprasad; Bertula, Kia; Kalenius, Elina; Nonappa, ?; Haukka, Matti
• Journal of publication: Soft matter
• Year of publication: 2020
• Journal volume: 16
• Journal issue: 11
• Pages of publication: 2795 - 2802
• a: 7.4212 ± 0.0001 Å
• b: 12.1297 ± 0.0002 Å
• c: 20.0591 ± 0.0003 Å
• α: 82.046 ± 0.001°
• β: 86.277 ± 0.001°
• γ: 85.498 ± 0.002°
• Cell volume: 1780.09 ± 0.05 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1007
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No