Information card for entry 4068631

Structure parameters

• Formula: C19 H12 N2 O2 Ru
• Calculated formula: C19 H12 N2 O2 Ru
• SMILES: [Ru]1234(C#[O])(C#[O])(C#Cc5ccc(nc5)c5ncccc5)[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2195
• a: 10.505 ± 0.001 Å
• b: 11.613 ± 0.002 Å
• c: 13.989 ± 0.002 Å
• α: 90°
• β: 109.014 ± 0.003°
• γ: 90°
• Cell volume: 1613.5 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.0553
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.0856
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No