Information card for entry 4084134

Structure parameters

• Formula: C33 H42 Cl2 F12 N2 O2 Ru2 Sb2
• Calculated formula: C33 H42 Cl2 F12 N2 O2 Ru2 Sb2
• SMILES: [Ru]1234567([O]([Ru]89%10%11%12%13([O]1Cc1[n]8cccc1)[c]1([cH]%13[cH]%12[c]%11([cH]%10[cH]91)C(C)C)C)Cc1[n]2cccc1)[c]1([cH]3[cH]4[c]5([cH]6[cH]71)C(C)C)C.[Sb](F)(F)(F)(F)([F-])F.[Sb](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Chiral Brønsted Acid Catalysts. Activation of Methyl 3,3,3-Trifluoropyruvate by Hydroxymethylpyridine-Containing Half-Sandwich Complexes
• Authors of publication: Carmona, Daniel; Lamata, Pilar; Sánchez, Antonio; Pardo, Pilar; Rodríguez, Ricardo; Ramírez, Paola; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 15
• Pages of publication: 4016
• a: 11.2673 ± 0.0008 Å
• b: 12.6581 ± 0.0009 Å
• c: 15.5594 ± 0.0011 Å
• α: 104.161 ± 0.001°
• β: 93.341 ± 0.001°
• γ: 106.027 ± 0.001°
• Cell volume: 2049.1 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0949
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1332
• Weighted residual factors for all reflections included in the refinement: 0.1624
• Goodness-of-fit parameter for all reflections included in the refinement: 0.761
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No