Information card for entry 7115634

Structure parameters

• Formula: C51 H34 N5 Pt
• Calculated formula: C51 H34 N5 Pt
• SMILES: [Pt]123([n]4c5ccc4=C(c4n1c(cc4)C(=c1[n]2c(cc1)C(=c1[n]3c5cc1)c1ccccc1)c1ccccc1)c1ccccc1)(c1cc(ccc1)C#N)c1ccc(cc1)C
• Title of publication: Platinum corroles
• Authors of publication: Abraham B. Alemayehu; Hugo Vazquez-Lima; Christine M. Beavers; Kevin J. Gagnon; Jesper Bendix; Abhik Ghosh
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 11093
• a: 9.5314 ± 0.0003 Å
• b: 12.4762 ± 0.0005 Å
• c: 16.9813 ± 0.0006 Å
• α: 111.157 ± 0.002°
• β: 97.191 ± 0.002°
• γ: 90.47 ± 0.002°
• Cell volume: 1865.3 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0267
• Residual factor for significantly intense reflections: 0.0259
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.6048 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No