Information card for entry 7014242

Structure parameters

• Formula: C55 H53 Cl2 F6 N4 P3 Ru
• Calculated formula: C55 H53 Cl2 F6 N4 P3 Ru
• SMILES: [Ru]1([n]2ccc(cc2c2cc(cc[n]12)C)C)(C#CC(C)(C)C)([N]#N)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Ruthenium bipyridyl compounds with two terminal alkynyl ligands.
• Authors of publication: Adams, Christopher J.; Bowen, Lucy E.; Humphrey, Mark G.; Morrall, Joseph P. L.; Samoc, Marek; Yellowlees, Lesley J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 24
• Pages of publication: 4130 - 4138
• a: 16.692 ± 0.006 Å
• b: 11.874 ± 0.004 Å
• c: 26.902 ± 0.008 Å
• α: 90°
• β: 97.69 ± 0.03°
• γ: 90°
• Cell volume: 5284 ± 3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1372
• Residual factor for significantly intense reflections: 0.0663
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1928
• Goodness-of-fit parameter for all reflections included in the refinement: 0.987
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No