Information card for entry 7039456

Structure parameters

• Formula: C40 H64 N3 P3 Ru Si
• Calculated formula: C40 H64 N3 P3 Ru Si
• SMILES: [Ru]12([P](c3c([Si]2(C)c2c([P]1(C1CCCCC1)C1CCCCC1)cccc2)cccc3)(C1CCCCC1)C1CCCCC1)([P](C)(C)C)N=N#N
• 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: 10.3984 ± 0.0004 Å
• b: 10.5102 ± 0.0004 Å
• c: 19.0001 ± 0.0008 Å
• α: 95.666 ± 0.0005°
• β: 92.3748 ± 0.0005°
• γ: 102.171 ± 0.0005°
• Cell volume: 2015.78 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0252
• Weighted residual factors for significantly intense reflections: 0.0624
• Weighted residual factors for all reflections included in the refinement: 0.065
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No