Information card for entry 4311929

Structure parameters

• Formula: C60 H53 B2 F8 N5 O2 Rh2
• Calculated formula: C60 H53 B2 F8 N5 O2 Rh2
• SMILES: [Rh]1234([n]5c(c6[n]4ccc(c6)C)cc(cc5)COc4ccc5ccccc5c4c4c(OCc5cc6c7[n]([Rh]89%10([CH]%11=[CH]9C9[CH]%10=[CH]8C%11C9)[n]6cc5)ccc(c7)C)ccc5ccccc45)[CH]4C5[CH]1=[CH]2C([CH]3=4)C5.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].CC#N
• 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: 12.237 ± 0.002 Å
• b: 16.728 ± 0.003 Å
• c: 25.783 ± 0.005 Å
• α: 90°
• β: 98.96 ± 0.03°
• γ: 90°
• Cell volume: 5213.4 ± 1.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.0664
• Residual factor for significantly intense reflections: 0.0489
• Weighted residual factors for significantly intense reflections: 0.1141
• Weighted residual factors for all reflections included in the refinement: 0.1235
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No