Information card for entry 8000094

Structure parameters

• Formula: C32 H31 B N6 O Ru
• Calculated formula: C32 H31 B N6 O Ru
• SMILES: [Ru]12345([n]6cccc7ccn(c67)[B](n6ccc7cccnc67)(n6ccc7cccnc67)[H]5)([c]5([c]4([c]3([c]2([c]15C)C)C)C)C)C#[O]
• Title of publication: Synthesis and Reactivity of Tris(7-azaindolyl)boratoruthenium Complex. Comparison with Poly(methimazolyl)borate Analogue
• Authors of publication: Saito, Tomoyuki; Kuwata, Shigeki; Ikariya, Takao
• Journal of publication: Chemistry Letters
• Year of publication: 2006
• Journal volume: 35
• Journal issue: 11
• Pages of publication: 1224
• a: 13.96 ± 0.006 Å
• b: 18.284 ± 0.008 Å
• c: 22.604 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5770 ± 4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for all reflections included in the refinement: 0.215
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No