Information card for entry 4084307

Structure parameters

• Formula: C39 H40 N2 Ru
• Calculated formula: C39 H40 N2 Ru
• SMILES: [Ru]123456([NH2]C(c7c6cccc7)(c6ccccc6)c6ccccc6)(n6ccc7ccccc67)[c]6([c]1([c]2([c]3([c]4([c]56C)C)C)C)C)C
• Title of publication: Heterolysis of NH-Indoles by Bifunctional Amido Complexes and Applications to Carboxylation with Carbon Dioxide
• Authors of publication: Ueno, Atsushi; Kayaki, Yoshihito; Ikariya, Takao
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 17
• Pages of publication: 4479
• a: 10.5087 ± 0.0019 Å
• b: 16.654 ± 0.003 Å
• c: 17.599 ± 0.004 Å
• α: 90°
• β: 100.226 ± 0.004°
• γ: 90°
• Cell volume: 3031.1 ± 1 ų
• Cell temperature: 93 K
• Ambient diffraction temperature: 93 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0354
• Weighted residual factors for all reflections included in the refinement: 0.0995
• Goodness-of-fit parameter for all reflections included in the refinement: 1
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No