Information card for entry 4068634

Structure parameters

• Formula: C34.7 H30.4 F12 N6 O1.4 P2 Ru
• Calculated formula: C34.6462 H29.4439 F12 N6 O1.3989 P2 Ru
• SMILES: [Ru]123([n]4c(ccc(C#C)c4)c4[n]1cccc4)([n]1c(cccc1)c1[n]2cccc1)[n]1c(cccc1)c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].CC(=O)C.O
• Title of publication: Coordinating Tectons: Bipyridyl-Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Jenkins, Gareth I.; Schauer, Phil A.; Szczepaniak, Barbara; Skelton, Brian W.; Tan, Colin; White, Allan H.
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 7
• Pages of publication: 2195
• a: 11.278 ± 0.0008 Å
• b: 13.146 ± 0.001 Å
• c: 13.879 ± 0.0012 Å
• α: 69.86 ± 0.001°
• β: 88.5 ± 0.001°
• γ: 84.16 ± 0.001°
• Cell volume: 1921.8 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1168
• Residual factor for significantly intense reflections: 0.0807
• Weighted residual factors for significantly intense reflections: 0.2196
• Weighted residual factors for all reflections included in the refinement: 0.2404
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No