Information card for entry 8000093

Structure parameters

• Formula: C31 H31 B N6 Ru
• Calculated formula: C31 H31 B N6 Ru
• SMILES: [Ru]123456([n]7cccc8ccn(c78)[B](n7ccc8ccc[n]1c78)(n1ccc7cccnc17)[H]6)[c]1([c]2([c]3([c]4([c]51C)C)C)C)C
• 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: 18.69 ± 0.02 Å
• b: 11.868 ± 0.01 Å
• c: 14.23 ± 0.01 Å
• α: 90°
• β: 117.052 ± 0.012°
• γ: 90°
• Cell volume: 2811 ± 4 ų
• Cell temperature: 193.1 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.118
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No