Information card for entry 7037189

Structure parameters

• Formula: C64 H59 Cl3 P4 Ru Si
• Calculated formula: C64 H59 Cl3 P4 Ru Si
• SMILES: [Ru]12(Cl)(C#Cc3ccc(cc3)C#C[Si](C)(C)C)([P](c3ccccc3)(c3ccccc3)C[P]1(c1ccccc1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)C[P]2(c1ccccc1)c1ccccc1.ClCCl
• Title of publication: Reactions of alkynes with cis-RuCl2(dppm)2: exploring the interplay of vinylidene, alkynyl and η(3)-butenynyl complexes.
• Authors of publication: Eaves, Samantha G.; Yufit, Dmitry S.; Skelton, Brian W.; Lynam, Jason M.; Low, Paul J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 48
• Pages of publication: 21016 - 21024
• a: 10.2463 ± 0.0001 Å
• b: 31.3382 ± 0.0003 Å
• c: 18.143 ± 0.0002 Å
• α: 90°
• β: 94.344 ± 0.001°
• γ: 90°
• Cell volume: 5808.99 ± 0.1 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: 0.0503
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No