Information card for entry 4085594

Structure parameters

• Formula: C98 H126 Ag Cl5 N8 O8 Ru2
• Calculated formula: C98 H126 Ag Cl5 N8 O8 Ru2
• Title of publication: New Structural Motifs Resulting from Internal Constraints in Chelating Bis(NHC) Ligands: A Dinuclear Ruthenium(II) Complex Featuring an η2-Arene Binding Mode and a Remarkable New Tetrameric Silver(I) Halide Form
• Authors of publication: Simpson, Peter V.; Brown, David H.; Skelton, Brian W.; White, Allan H.; Baker, Murray V.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2508
• a: 16.7862 ± 0.001 Å
• b: 19.0439 ± 0.0012 Å
• c: 19.1721 ± 0.0014 Å
• α: 63.626 ± 0.007°
• β: 88.45 ± 0.005°
• γ: 64.963 ± 0.006°
• Cell volume: 4876.2 ± 0.7 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.1036
• Residual factor for significantly intense reflections: 0.0714
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2042
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No