Information card for entry 4077598

Structure parameters

• Formula: C23 H45 B2 P Ru2
• Calculated formula: C23 H45 B2 P Ru2
• SMILES: [Ru]1234567([H][Ru]89%10%11%12([P](C)(C)C)([c]%14([c]9([c]%10([c]%11([c]%12%14C)C)C)C)C)[B]95([BH2]8[H]9)([H]7)[H]6)[c]5([c]1([c]2([c]3([c]45C)C)C)C)C
• Title of publication: Syntheses and Structures of New Diruthenatetraborane Complexes Exhibiting Novel Modes of Coordination for a B2H5Fragment: Phosphine-Complexed [(Cp*Ru)2(μ-H)(∥-μ-η4-B2H5)(PR3)] (PR3= PMe3, PMe2Ph) and Phosphido-Bridgednido-[(Cp*Ru)2(μ-PMe2)(⊥-μ-η4-B2H5)]1
• Authors of publication: Pangan, Lourdes N.; Kawano, Yasuro; Shimoi, Mamoru
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 26
• Pages of publication: 5575
• a: 13.85 ± 0.002 Å
• b: 17.849 ± 0.001 Å
• c: 10.7815 ± 0.0008 Å
• α: 90°
• β: 94.392 ± 0.007°
• γ: 90°
• Cell volume: 2657.5 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.0935
• Weighted residual factors for significantly intense reflections: 0.092
• Goodness-of-fit parameter for all reflections: 1.025
• Goodness-of-fit parameter for significantly intense reflections: 1.027
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No