Information card for entry 7119446

Structure parameters

• Formula: C26 H28 F12 N6 P2 Ru
• Calculated formula: C26 H28 F12 N6 P2 Ru
• SMILES: c12cccc[n]2[Ru]2345[N](Cc6cccc(c7cccc[n]27)[n]46)(CC[N]5(Cc2cccc1[n]32)C)C.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-]
• Title of publication: The stereoselectivity of bipyrrolidine-based sequential polydentate ligands around Ru(II)
• Authors of publication: Yanay; Popowski; Israel; Goldberg; Moshe; Kol
• Journal of publication: Chem.Commun.
• Year of publication: 2016
• Journal volume: 52
• Pages of publication: 7932
• a: 20.6432 ± 0.0017 Å
• b: 12.1018 ± 0.0009 Å
• c: 12.8802 ± 0.0011 Å
• α: 90°
• β: 110.019 ± 0.003°
• γ: 90°
• Cell volume: 3023.3 ± 0.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0355
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for significantly intense reflections: 0.0737
• Weighted residual factors for all reflections included in the refinement: 0.0838
• Goodness-of-fit parameter for all reflections included in the refinement: 1.398
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No