Information card for entry 4515932

Structure parameters

• Formula: C49 H32 N6 Pt
• Calculated formula: C49 H32 N6 Pt
• SMILES: [Pt]123([n]4c5ccc4=C(c4[n]1c(cc4)=C(c1[n]2c(cc1)=C(c1n3c5cc1)c1ccccc1)c1ccccc1)c1ccccc1)([n]1ccccc1)c1cc(ccc1)C#N
• Title of publication: Stable Platinum(IV) Corroles: Synthesis, Molecular Structure, and Room-Temperature Near-IR Phosphorescence.
• Authors of publication: Alemayehu, Abraham B.; McCormick, Laura J.; Gagnon, Kevin J.; Borisov, Sergey M.; Ghosh, Abhik
• Journal of publication: ACS omega
• Year of publication: 2018
• Journal volume: 3
• Journal issue: 8
• Pages of publication: 9360 - 9368
• a: 9.4792 ± 0.0015 Å
• b: 12.0922 ± 0.0019 Å
• c: 16.675 ± 0.003 Å
• α: 109.102 ± 0.003°
• β: 95.415 ± 0.003°
• γ: 90.85 ± 0.003°
• Cell volume: 1795.9 ± 0.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0865
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.1336
• Weighted residual factors for all reflections included in the refinement: 0.1471
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.7293 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No