Information card for entry 4311928

Structure parameters

• Formula: C46 H46 B2 F8 N4 Rh2
• Calculated formula: C46 H46 B2 F8 N4 Rh2
• SMILES: [Rh]1234([CH]5=[CH]2C2[CH]1=[CH]3C5C2)[n]1ccc(cc1c1[n]4ccc(c1)C)CCc1ccccc1CCc1cc[n]2[Rh]345([CH]6=[CH]3C3[CH]5=[CH]4C6C3)[n]3c(c2c1)cc(cc3)C.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• Title of publication: New Ligand Systems Incorporating Two and Three 4,4'-Bipyridine Units. Characterization of Bi- and Trimetallic Rhodium and Iridium Complexes
• Authors of publication: Reto Dorta; Romano Dorta; Linda J. W. Shimon; David Milstein
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 7180 - 7186
• a: 37.115 ± 0.007 Å
• b: 8.313 ± 0.002 Å
• c: 31.477 ± 0.006 Å
• α: 90°
• β: 120.64 ± 0.03°
• γ: 90°
• Cell volume: 8356 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.063
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No