Information card for entry 2006665

Structure parameters

• Formula: C48 H44 B F4 P2 Rh
• Calculated formula: C48 H44 B F4 P2 Rh
• SMILES: [Rh]1([P]([C@@H]2C3c4ccccc4C([C@H]2[P]1(c1ccccc1)c1ccccc1)c1ccccc31)(c1ccccc1)c1ccccc1)([CH]12)([CH]=1CC3)([CH]31)[CH]=1CC2.[B](F)(F)(F)[F-]
• Title of publication: [(1,2,5,6-η)-1,5-Cyclooctadiene][(11<i>R</i>,12<i>R</i>)-9,10-dihydro-9,10-ethanoanthracene-11,12-bis(diphenylphosphino-<i>P</i>)]rhodium(I) Tetrafluoroborate
• Authors of publication: Fu, Tai Y.; Liu, Zhaoqing; Rettig, Steven J.; Scheffer, John R.; Trotter, James
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 11
• Pages of publication: 1577 - 1579
• a: 10.158 ± 0.0002 Å
• b: 10.158 ± 0.0002 Å
• c: 39.7543 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4102.05 ± 0.13 ų
• Cell temperature: 180 K
• Ambient diffraction temperature: 180 K
• Number of distinct elements: 6
• Space group number: 76
• Hermann-Mauguin space group symbol: P 41
• Hall space group symbol: P 4w
• Residual factor for all reflections: 0.08
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for all reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.086
• Goodness-of-fit parameter for all reflections: 2.51
• Goodness-of-fit parameter for all reflections included in the refinement: 2.51
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No