Information card for entry 4067378

Structure parameters

• Formula: C32 H35 N3 Ru
• Calculated formula: C32 H35 N3 Ru
• SMILES: [Ru]123456([n]7c(C(=N\c8c(cccc8C)C)\C)cccc7C(=[N]1c1c(cccc1C)C)C)[c]1([cH]2[cH]3[cH]4[cH]5[cH]61)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: 9.2922 ± 0.0008 Å
• b: 12.5838 ± 0.001 Å
• c: 23.3895 ± 0.0018 Å
• α: 90°
• β: 96.132 ± 0.001°
• γ: 90°
• Cell volume: 2719.3 ± 0.4 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0338
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No