Information card for entry 7000939

Structure parameters

• Formula: C18 H19 N
• Calculated formula: C18 H19 N
• SMILES: c1ccccc1c1cc2c(cn1)[C@@H]1C[C@H](C2)C1(C)C
• Title of publication: μ-Chlorido, μ-hydroxo-bridged dicarbonyl ruthenacycles: synthesis, structure and catalytic properties in hydrogen atom transfer
• Authors of publication: Djukic, Jean-Pierre; Parkhomenko, Ksenia; Hijazi, Akram; Chemmi, Atika; Allouche, Lionel; Brelot, Lydia; Pfeffer, Michel; Ricard, Louis; Le Goff, Xavier-Frédéric
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 15
• Pages of publication: 2695 - 2711
• a: 17.9479 ± 0.0006 Å
• b: 6.2856 ± 0.0004 Å
• c: 12.5093 ± 0.0007 Å
• α: 90°
• β: 93.78 ± 0.003°
• γ: 90°
• Cell volume: 1408.15 ± 0.13 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 3
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1209
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No