Information card for entry 4069840

Structure parameters

• Formula: C18 H34 B N6 P Ru
• Calculated formula: C18 H34 B N6 P Ru
• SMILES: [RuH3]12([P](C(C)C)(C(C)C)C(C)C)[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: 11.157 ± 0.003 Å
• b: 14.336 ± 0.004 Å
• c: 14.188 ± 0.004 Å
• α: 90°
• β: 107.794 ± 0.004°
• γ: 90°
• Cell volume: 2160.8 ± 1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0379
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0647
• Weighted residual factors for all reflections included in the refinement: 0.0676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No