Information card for entry 4067843

Structure parameters

• Formula: C60 H41 B Cl2 F24 N9 O P Pt
• Calculated formula: C60 H41 B Cl2 F24 N9 O P Pt
• SMILES: [Pt]12(C)(C)(C)[n]3nn(c4ccccc4)cc3P(=O)(c3[n]1nn(c1ccccc1)c3)c1[n]2nn(c2ccccc2)c1.[B-](c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)(c1cc(cc(c1)C(F)(F)F)C(F)(F)F)c1cc(cc(c1)C(F)(F)F)C(F)(F)F.C(Cl)Cl
• Title of publication: C‒H and C‒C Bond Formation Promoted by Facile κ3/κ2Interconversions in a Hemilabile “Click”-Triazole Scorpionate Platinum System
• Authors of publication: Frauhiger, Bryan E.; White, Peter S.; Templeton, Joseph L.
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 1
• Pages of publication: 225
• a: 16.2833 ± 0.0002 Å
• b: 15.5893 ± 0.0002 Å
• c: 25.8409 ± 0.0003 Å
• α: 90°
• β: 93.97 ± 0.001°
• γ: 90°
• Cell volume: 6543.85 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.028
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0667
• Weighted residual factors for all reflections included in the refinement: 0.0672
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No