Information card for entry 7061282

Structure parameters

• Formula: C48 H58 Cl6 O6 P2 Rh2
• Calculated formula: C48 H58 Cl6 O6 P2 Rh2
• SMILES: [Rh]1([Cl][Rh]([P]2(c3c(c4c(OC)cccc4OC)cccc3)C3CCCC2CCC3)([Cl]1)C#[O])([P]1(C2CCCC1CCC2)c1c(c2c(OC)cccc2OC)cccc1)C#[O].ClCCl.ClCCl
• Title of publication: Exploring steric and electronic parameters of biaryl phosphacycles
• Authors of publication: Lamola, Jairus L.; Adeyinka, Adedapo S.; Malan, Frederick P.; Moshapo, Paseka T.; Holzapfel, Cedric W.; Maumela, Munaka Christopher
• Journal of publication: New Journal of Chemistry
• Year of publication: 2022
• Journal volume: 46
• Journal issue: 10
• Pages of publication: 4677 - 4686
• a: 14.8441 ± 0.0001 Å
• b: 16.2144 ± 0.0001 Å
• c: 21.0762 ± 0.0002 Å
• α: 90°
• β: 100.122 ± 0.001°
• γ: 90°
• Cell volume: 4993.84 ± 0.07 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0413
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No