Information card for entry 4085592

Structure parameters

• Formula: C82 H111 Ag4 Br4 N9 O8
• Calculated formula: C82 H111 Ag4 Br4 N9 O8
• 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: 14.6677 ± 0.0001 Å
• b: 35.8151 ± 0.0003 Å
• c: 17.1801 ± 0.0002 Å
• α: 90°
• β: 91.928 ± 0.001°
• γ: 90°
• Cell volume: 9020.03 ± 0.14 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: 0.0679
• Residual factor for significantly intense reflections: 0.0602
• Weighted residual factors for significantly intense reflections: 0.1528
• Weighted residual factors for all reflections included in the refinement: 0.157
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No