Information card for entry 7013271

Structure parameters

• Formula: C48 H40 F6 N P3 Ru
• Calculated formula: C48 H40 F6 N P3 Ru
• SMILES: [Ru]1234([N]#Cc5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)([P](c5ccccc5)(c5ccccc5)c5ccccc5)[cH]5[cH]1[cH]2[cH]3[cH]45.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Cyanoacetylenes and cyanoacetylides: versatile ligands in organometallic chemistry
• Authors of publication: Richard L. Cordiner; Deborah Corcoran; Dmitri S. Yufit; Andrés E. Goeta; Judith A. K. Howard; Paul J. Low
• Journal of publication: Dalton Trans.
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 3541 - 3549
• a: 15.6383 ± 0.0004 Å
• b: 13.9146 ± 0.0003 Å
• c: 20.1345 ± 0.0005 Å
• α: 90°
• β: 108.921 ± 0.001°
• γ: 90°
• Cell volume: 4144.55 ± 0.17 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• 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: 0.026
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.0602
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No