Information card for entry 4081931

Structure parameters

• Formula: C74 H75 N8 O3 P Ru2 Si
• Calculated formula: C74 H75 N8 O3 P Ru2 Si
• SMILES: [Ru]1234([Ru](N(c5[n]1cccc5)c1ccccc1)(N(c1ccccc1)c1[n]2cccc1)(N(c1[n]3cccc1)c1ccccc1)(N(c1[n]4cccc1)c1ccccc1)C#CC#C[Si](C)(C)C)C#Cc1ccc(P(=O)(OC(C)(C)C)OC(C)(C)C)cc1.Cc1ccccc1
• Title of publication: New Diruthenium Bis-alkynyl Compounds as Potential Ditopic Linkers
• Authors of publication: Savchenko, Julia; Cao, Zhi; Natoli, Sean N.; Cummings, Steven P.; Prentice, Boone M.; Fanwick, Phillip E.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 21
• Pages of publication: 6461
• a: 10.9588 ± 0.0014 Å
• b: 18.579 ± 0.003 Å
• c: 18.701 ± 0.002 Å
• α: 63.351 ± 0.009°
• β: 84.084 ± 0.011°
• γ: 78.935 ± 0.01°
• Cell volume: 3339.2 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1298
• Residual factor for significantly intense reflections: 0.092
• Weighted residual factors for significantly intense reflections: 0.2476
• Weighted residual factors for all reflections included in the refinement: 0.2775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No