Information card for entry 4072849

Structure parameters

• Formula: C35.5 H37 O P Ru
• Calculated formula: C32 H33 O P Ru
• SMILES: [Ru]12345678(P9[C]4(=[C]3([C]2(=[C]19c1ccccc1)C)C)c1c2ccccc2ccc1O)[c]1([c]5([c]6([c]7([c]81C)C)C)C)C
• Title of publication: Planar-to-Axial Chirality Relay in Phospharuthenocenes. A Rotationally Hindered 2-(2‘-Diphenylphosphinonaphth-1‘-yl)phospharuthenocene
• Authors of publication: Carmichael, Duncan; Ricard, Louis; Seeboth, Nicolas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 12
• Pages of publication: 2964
• a: 8.512 ± 0.001 Å
• b: 11.989 ± 0.001 Å
• c: 15.228 ± 0.001 Å
• α: 110.95 ± 0.001°
• β: 90.33 ± 0.001°
• γ: 100.16 ± 0.001°
• Cell volume: 1424.5 ± 0.2 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0426
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.1025
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No