Information card for entry 4311927

Structure parameters

• Formula: C45 H52 B2 Cl2 F8 N4 Rh2
• Calculated formula: C45 H52 B2 Cl2 F8 N4 Rh2
• SMILES: [Rh]1234([n]5ccc(cc5c5[n]1ccc(c5)C)CCc1c(CCc5cc6[n]([Rh]789([n]%10ccc(cc6%10)C)[CH2]=[CH]7CC[CH]8=[CH2]9)cc5)cccc1)[CH2]=[CH]2CC[CH]3=[CH2]4.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-].ClCCl
• 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: 11.213 ± 0.002 Å
• b: 19.493 ± 0.004 Å
• c: 20.205 ± 0.004 Å
• α: 90°
• β: 90.52 ± 0.03°
• γ: 90°
• Cell volume: 4416.1 ± 1.5 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: 0.0691
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1424
• Goodness-of-fit parameter for all reflections included in the refinement: 1.006
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No