Information card for entry 4084215

Structure parameters

• Formula: C15 H13 Cl N2 Ru
• Calculated formula: C15 H13 Cl N2 Ru
• SMILES: [Ru]12345(Cl)([n]6c(cccc6)c6[n]1cccc6)[cH]1[cH]5[cH]4[cH]3[cH]21
• 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: 10.3949 ± 0.0001 Å
• b: 8.0639 ± 0.0001 Å
• c: 15.9581 ± 0.0002 Å
• α: 90°
• β: 101.552 ± 0.001°
• γ: 90°
• Cell volume: 1310.57 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0703
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.081
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No