Information card for entry 4068636

Structure parameters

• Formula: C66.3 H57.63 Cl N2 P4 Ru
• Calculated formula: C66.303 H57.632 Cl N2 P4 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)CC[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)CC[P]2(c1ccccc1)c1ccccc1)C#Cc1ccc(nc1)c1ncccc1.c1(ccccc1)C
• 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: 13.1714 ± 0.0004 Å
• b: 34.614 ± 0.001 Å
• c: 13.414 ± 0.0004 Å
• α: 90°
• β: 117.324 ± 0.004°
• γ: 90°
• Cell volume: 5433.3 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1029
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1372
• Weighted residual factors for all reflections included in the refinement: 0.1538
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No