Information card for entry 7711379

Structure parameters

• Formula: C37 H62 B P Ru
• Calculated formula: C37 H62 B P Ru
• SMILES: [BH]1(c2c(cc(cc2C)C)C)[H][Ru]2345([c]6([c]2([c]3([c]4([c]56C)C)C)C)C)([H]1)[P](C1CCCCC1)(C1CCCCC1)C1CCCCC1
• 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: 10.0172 ± 0.0002 Å
• b: 12.1842 ± 0.0002 Å
• c: 16.9434 ± 0.0003 Å
• α: 65.716 ± 0.001°
• β: 81.031 ± 0.001°
• γ: 64.759 ± 0.001°
• Cell volume: 1704.54 ± 0.06 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 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: 0.027
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0594
• Weighted residual factors for all reflections included in the refinement: 0.061
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No