Information card for entry 7711382

Structure parameters

• Formula: C30 H49 B N2 Ru
• Calculated formula: C30 H49 B N2 Ru
• SMILES: [BH]1(c2c(cc(cc2C)C)C)[H][Ru]2345(=C6N(C(=C(C)N6C(C)C)C)C(C)C)([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)[H]1
• Title of publication: Ruthenium tris(σ-B-H) borate complexes: synthesis, structure, and reactivity
• Authors of publication: Wei, Yongliang; Yang, Xiaowen; Tian, Minghui; Wang, Xue; Wang, Tongdao
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 10.782 ± 0.004 Å
• b: 12.152 ± 0.004 Å
• c: 12.316 ± 0.004 Å
• α: 112.688 ± 0.008°
• β: 97.811 ± 0.008°
• γ: 90.37 ± 0.009°
• Cell volume: 1471.9 ± 0.9 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0316
• Residual factor for significantly intense reflections: 0.0249
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0606
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No