Information card for entry 4067379

Structure parameters

• Formula: C31 H45 N3 P2 Ru
• Calculated formula: C31 H45 N3 P2 Ru
• SMILES: [Ru]12([P](C)(C)C)([P](C)(C)C)[N](=C(c3[n]1c(ccc3)C(=[N]2c1c(cccc1C)C)C)C)c1c(cccc1C)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: 8.5301 ± 0.0005 Å
• b: 32.85 ± 0.002 Å
• c: 11.921 ± 0.0008 Å
• α: 90°
• β: 110.43°
• γ: 90°
• Cell volume: 3130.3 ± 0.3 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 5
• 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: 0.0345
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0659
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No