Information card for entry 7039453

Structure parameters

• Formula: C40 H61 P3 Ru Si
• Calculated formula: C40 H61 P3 Ru Si
• SMILES: [Ru]12345([P@](c6c([Si@]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc6)(C1C[CH]3=[CH]4C5C1)C1CCCCC1)[P](C)(C)C.[Ru]12345([P@@](c6c([Si@@]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc6)(C1C[CH]3=[CH]4C5C1)C1CCCCC1)[P](C)(C)C
• Title of publication: Synthesis and characterization of five-coordinate, 16-electron Ru(II) complexes supported by tridentate bis(phosphino)silyl ligation.
• Authors of publication: MacInnis, Morgan C.; Ruddy, Adam J.; McDonald, Robert; Ferguson, Michael J.; Turculet, Laura
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 40
• Pages of publication: 15850 - 15858
• a: 10.5218 ± 0.0005 Å
• b: 12.5407 ± 0.0006 Å
• c: 15.2414 ± 0.0007 Å
• α: 87.6054 ± 0.0005°
• β: 70.3495 ± 0.0005°
• γ: 89.9268 ± 0.0005°
• Cell volume: 1892.16 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0243
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0633
• Weighted residual factors for all reflections included in the refinement: 0.0647
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No