Information card for entry 4077450

Structure parameters

• Common name: (PPh3)2RhCl(2,2'-biphenylene)
• Formula: C49 H40 Cl3 P2 Rh
• Calculated formula: C49 H40 Cl3 P2 Rh
• SMILES: [Rh]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)c2ccccc2c2ccccc12.C(Cl)Cl
• Title of publication: Rhodium-Catalyzed Activation and Functionalization of the C−C Bond of Biphenylene
• Authors of publication: Iverson, Carl N.; Jones, William D.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 26
• Pages of publication: 5745
• a: 9.8486 ± 0.0005 Å
• b: 22.8268 ± 0.0012 Å
• c: 18.3084 ± 0.0009 Å
• α: 90°
• β: 96.227 ± 0.001°
• γ: 90°
• Cell volume: 4091.7 ± 0.4 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0382
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.0786
• Weighted residual factors for all reflections included in the refinement: 0.0857
• Goodness-of-fit parameter for all reflections included in the refinement: 0.692
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No