Information card for entry 7030222

Structure parameters

• Formula: C60 H96 B3 F12 N3 O9 Ru3
• Calculated formula: C60 H78 B3 F12 N3 O9 Ru3
• SMILES: [B](F)(F)(F)[F-].C[c]12[Ru]345678([NH]9[C@H](C(=[O]3)O[Ru]3%10%11%12%13%14([c]%15([c]3([c]%10([c]%11([c]%12([c]%13%15C)C)C)C)C)C)[NH]3[C@H](C(=[O]%14)O[Ru]%10%11%12%13%14%15([c]%16([c]%10([c]%11([c]%12([c]%13([c]%14%16C)C)C)C)C)C)[NH]%10[C@H](C(O4)=[O]%15)CCC%10)CCC3)CCC9)[c]([c]15C)([c]8([c]7([c]26C)C)C)C.O=C(C)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].O=C(C)C.O=C(C)C
• Title of publication: Ruthenium amino carboxylate complexes as asymmetric hydrogen transfer catalysts.
• Authors of publication: Carmona, Daniel; Viguri, Fernando; Pilar Lamata, M.; Ferrer, Joaquina; Bardají, Elisa; Lahoz, Fernando J.; García-Orduña, Pilar; Oro, Luis A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 34
• Pages of publication: 10298 - 10308
• a: 19.161 ± 0.003 Å
• b: 19.161 ± 0.003 Å
• c: 10.4784 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3331.7 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 173
• Hermann-Mauguin space group symbol: P 63
• Hall space group symbol: P 6c
• Residual factor for all reflections: 0.1011
• Residual factor for significantly intense reflections: 0.089
• Weighted residual factors for significantly intense reflections: 0.1784
• Weighted residual factors for all reflections included in the refinement: 0.1839
• Goodness-of-fit parameter for all reflections included in the refinement: 1.197
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No