Information card for entry 4084205

Structure parameters

• Formula: C76 H67 Cl N2 P4 Ru
• Calculated formula: C76 H67 Cl N2 P4 Ru
• SMILES: [Ru]12(Cl)([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1)C#Cc1ccc(nc1)c1ncccc1.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: Coordinating Tectons: Bimetallic Complexes from Bipyridyl Terminated Group 8 Alkynyl Complexes
• Authors of publication: Koutsantonis, George A.; Low, Paul J.; Mackenzie, Campbell F. R.; Skelton, Brian W.; Yufit, Dmitry S.
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 18
• Pages of publication: 4911
• a: 10.1365 ± 0.0007 Å
• b: 35.239 ± 0.003 Å
• c: 17.7838 ± 0.0015 Å
• α: 90°
• β: 95.27 ± 0.007°
• γ: 90°
• Cell volume: 6325.5 ± 0.9 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: 0.0832
• Residual factor for significantly intense reflections: 0.0684
• Weighted residual factors for significantly intense reflections: 0.1586
• Weighted residual factors for all reflections included in the refinement: 0.166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No