Information card for entry 4073174

Structure parameters

• Formula: C31 H32 B2 F8 N4 O7 Ru2
• Calculated formula: C31 H32 B2 F8 N4 O7 Ru2
• SMILES: [n]12c3[n]4cccc3ccc1CC(O[Ru]12([n]2cccc3c2[n]2c(cc3)CC(O[Ru]412(C#[O])C#[O])(C)C)(C#[O])C#[O])(C)C.[B](F)(F)(F)[F-].C(=O)(C)C.[B](F)(F)(F)[F-]
• Title of publication: C−C Bond Forming Reaction through Aldol-Type Addition Mediated by a [Ru2(CO)4]2+Core
• Authors of publication: Patra, Sanjib K.; Bera, Jitendra K.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 10
• Pages of publication: 2598
• a: 12.59 ± 0.005 Å
• b: 8.383 ± 0.003 Å
• c: 20.993 ± 0.006 Å
• α: 90°
• β: 123.243 ± 0.016°
• γ: 90°
• Cell volume: 1853.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1183
• Residual factor for significantly intense reflections: 0.0833
• Weighted residual factors for significantly intense reflections: 0.1955
• Weighted residual factors for all reflections included in the refinement: 0.2143
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No