Information card for entry 4064300

Structure parameters

• Formula: C74 H106 N8 O Ru2 Si2
• Calculated formula: C74 H106 N8 O Ru2 Si2
• SMILES: [Ru]1234([Ru]([N](=C(N1C)c1ccccc1)C)([N](=C(N2C)c1ccccc1)C)(N(C(=[N]3C)c1ccccc1)C)(N(C(=[N]4C)c1ccccc1)C)C#CC(=C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C)C#CC(=C(C)C)C#C[Si](C(C)C)(C(C)C)C(C)C.O1CCCC1
• Title of publication: Bimetallic Organometallic Compounds of σ-gem-Diethynylethene (gem-DEE) Ligands:trans-Ru2(DMBA)4(gem-DEE)2
• Authors of publication: Forrest, William P.; Cao, Zhi; Fanwick, Phillip E.; Hassell, Kerry M.; Ren, Tong
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 8
• Pages of publication: 2075
• a: 10.6263 ± 0.0015 Å
• b: 16.654 ± 0.003 Å
• c: 21.36 ± 0.003 Å
• α: 80.515 ± 0.008°
• β: 79.918 ± 0.01°
• γ: 87.793 ± 0.012°
• Cell volume: 3670.7 ± 1 ų
• Cell temperature: 150 ± 0.2 K
• Ambient diffraction temperature: 150 ± 0.2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.099
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.218
• Weighted residual factors for all reflections included in the refinement: 0.234
• Goodness-of-fit parameter for all reflections included in the refinement: 1.124
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CU-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No