Information card for entry 4349427

Structure parameters

• Formula: C40 H20 F9 N5 Ru
• Calculated formula: C40 H20 F9 N5 Ru
• SMILES: [Ru]123([n]4c5ccc4=C(c4[n]1c(cc4)=C(c1[n]2c(cc1)=C(c1n3c5cc1)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)c1ccc(cc1)C(F)(F)F)#N
• Title of publication: Stepwise Deoxygenation of Nitrite as a Route to Two Families of Ruthenium Corroles: Group 8 Periodic Trends and Relativistic Effects.
• Authors of publication: Alemayehu, Abraham B.; Vazquez-Lima, Hugo; Gagnon, Kevin J.; Ghosh, Abhik
• Journal of publication: Inorganic chemistry
• Year of publication: 2017
• Journal volume: 56
• Journal issue: 9
• Pages of publication: 5285 - 5294
• a: 16.39 ± 0.012 Å
• b: 14.048 ± 0.011 Å
• c: 14.056 ± 0.011 Å
• α: 90°
• β: 93.64 ± 0.009°
• γ: 90°
• Cell volume: 3230 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• 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: 0.109
• Residual factor for significantly intense reflections: 0.0739
• Weighted residual factors for significantly intense reflections: 0.1556
• Weighted residual factors for all reflections included in the refinement: 0.1775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.7749 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No