Information card for entry 7030221

Structure parameters

• Formula: C12 H18 Cl N O3 Ru
• Calculated formula: C12 H18 Cl N O3 Ru
• SMILES: [Ru]123456(Cl)(OC(=O)[C@H]7[NH]1CCCC7)[cH]1[cH]2[cH]3[cH]4[cH]5[cH]61.O
• 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: 17.365 ± 0.002 Å
• b: 6.266 ± 0.0009 Å
• c: 24.847 ± 0.003 Å
• α: 90°
• β: 106.045 ± 0.002°
• γ: 90°
• Cell volume: 2598.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0322
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.015
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No