Information card for entry 4075537

Structure parameters

• Chemical name: bis-(eta2-corannulene)-tetracarbonyl-bis(trifluoroacetato-O,O')-diruthenium(I,I)
• Formula: C48 H20 F6 O8 Ru2
• Calculated formula: C48 H20 F6 O8 Ru2
• SMILES: [Ru]123([O]=C(O[Ru]42([O]=C(O1)C(F)(F)F)(C#[O])(C#[O])[cH]1[cH]4c2c4c5c(cc2)ccc2c5c5c(cc2)ccc1c45)C(F)(F)F)(C#[O])(C#[O])[cH]1[cH]3c2c3c4c(cc2)ccc2c4c4c(cc2)ccc1c34
• Title of publication: Corannulene: A Preference forexo-Metal Binding. X-ray Structural Characterization of [Ru2(O2CCF3)2(CO)4·(η2-C20H10)2]
• Authors of publication: Petrukhina, Marina A.; Sevryugina, Yulia; Rogachev, Andrey Yu.; Jackson, Edward A.; Scott, Lawrence T.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5492
• a: 8.2756 ± 0.0005 Å
• b: 15.8362 ± 0.0009 Å
• c: 16.2107 ± 0.001 Å
• α: 110.21 ± 0.001°
• β: 92.539 ± 0.001°
• γ: 103.155 ± 0.001°
• Cell volume: 1923.7 ± 0.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0378
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0792
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No