Information card for entry 4063807

Structure parameters

• Formula: C29 H33 N3 Ru
• Calculated formula: C29 H33 N3 Ru
• SMILES: [Ru]123([N](=C(c4[n]1c(ccc4)C(=[N]2c1c(cc(cc1C)C)C)C)C)c1c(cc(cc1C)C)C)[CH]#[CH]3
• Title of publication: Structure and Reactivity of Acetylene Complexes of Bis(imino)pyridine Ruthenium(0)
• Authors of publication: Wieder, Noah L.; Carroll, Patrick J.; Berry, Donald H.
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2125
• a: 23.207 ± 0.002 Å
• b: 15.4043 ± 0.0011 Å
• c: 17.1281 ± 0.0017 Å
• α: 90°
• β: 124.2 ± 0.002°
• γ: 90°
• Cell volume: 5064.3 ± 0.8 ų
• Cell temperature: 143 ± 1 K
• Ambient diffraction temperature: 143 ± 1 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0397
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0752
• Weighted residual factors for all reflections included in the refinement: 0.0797
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No