Information card for entry 4079827

Structure parameters

• Formula: C116 H122 O35.5 P4 Rh2
• Calculated formula: C116 H122 O35.5 P4 Rh2
• SMILES: [Rh]1234([Rh]([O]5CCOCC5)([O]=P5(O1)Oc1c(c6c(O5)ccc5ccccc65)c5ccccc5cc1)(OP1(=[O]2)Oc2c(c5c(O1)ccc1ccccc51)c1ccccc1cc2)([O]=P1(O3)Oc2c(c3c(O1)ccc1ccccc31)c1ccccc1cc2)OP1(=[O]4)Oc2ccc3ccccc3c2c2c3ccccc3ccc2O1)[OH2].O1CCOCC1.O.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1.O1CCOCC1
• Title of publication: Synthesis, Structural Analysis, and Catalytic Properties of Tetrakis(binaphthyl or octahydrobinaphthyl phosphate) Dirhodium(II,II) Complexes
• Authors of publication: Hrdina, Radim; Guénée, Laure; Moraleda, Delphine; Lacour, Jérôme
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 2
• Pages of publication: 473
• a: 14.72965 ± 0.00019 Å
• b: 20.6819 ± 0.0002 Å
• c: 18.2822 ± 0.0002 Å
• α: 90°
• β: 101.101 ± 0.0012°
• γ: 90°
• Cell volume: 5465.22 ± 0.11 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0441
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1157
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No