Information card for entry 4069841

Structure parameters

• Formula: C25 H37 B N7 P Ru
• Calculated formula: C25 H37 B N7 P Ru
• SMILES: [Ru]123([P](C(C)C)(C(C)C)C(C)C)([n]4c(C=C3)cccc4)[n]3n([BH](n4[n]1ccc4)n1[n]2ccc1)ccc3
• Title of publication: Aromatization of a Dihydro-3-ruthenaindolizine Complex
• Authors of publication: Esteruelas, Miguel A.; Fernández, Israel; Fuertes, Sara; López, Ana M.; Oñate, Enrique; Sierra, Miguel A.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 16
• Pages of publication: 4876
• a: 17.3174 ± 0.0017 Å
• b: 8.1753 ± 0.0008 Å
• c: 18.8184 ± 0.0018 Å
• α: 90°
• β: 90.66 ± 0.002°
• γ: 90°
• Cell volume: 2664 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0489
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No