Information card for entry 4084211

Structure parameters

• Formula: C23 H17 Cl N2 Ru
• Calculated formula: C23 H17 Cl N2 Ru
• SMILES: [Ru]12345(Cl)([n]6cc(C#Cc7ccccc7)ccc6c6[n]1cccc6)[cH]1[cH]5[cH]4[cH]3[cH]21
• Title of publication: Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4911
• a: 8.2621 ± 0.0003 Å
• b: 10.9096 ± 0.0003 Å
• c: 10.9426 ± 0.0004 Å
• α: 81.959 ± 0.003°
• β: 78.691 ± 0.003°
• γ: 71.564 ± 0.003°
• Cell volume: 914.32 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No