Information card for entry 4067376

Structure parameters

• Formula: C62 H78 N8 Ru2
• Calculated formula: C62 H78 N8 Ru2
• SMILES: [Ru]12([N](=C(c3[n]1c(C(=[N]2c1c(cc(cc1C)C)C)C)cc(c3)C(C)(C)C)C)c1c(cc(cc1C)C)C)N=N[Ru]12[N](=C(c3[n]1c(cc(c3)C(C)(C)C)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Low-Valent Ruthenium Complexes of the Non-innocent 2,6-Bis(imino)pyridine Ligand
• Authors of publication: Gallagher, Michelle; Wieder, Noah L.; Dioumaev, Vladimir K.; Carroll, Patrick J.; Berry, Donald H.
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 3
• Pages of publication: 591
• a: 21.799 ± 0.003 Å
• b: 26.768 ± 0.003 Å
• c: 14.9788 ± 0.0017 Å
• α: 90°
• β: 129.895 ± 0.002°
• γ: 90°
• Cell volume: 6705.8 ± 1.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1131
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 0.933
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No