Information card for entry 4079828

Structure parameters

• Formula: C91 H98 Cl6 N4 O16 P4 Rh2
• Calculated formula: C91 H98 Cl6 N4 O16 P4 Rh2
• SMILES: [Rh]1234([Rh]([O]=P5(O1)Oc1ccc6CCCCc6c1c1c6CCCCc6ccc1O5)(OP1(=[O]2)Oc2c(c5c(O1)ccc1CCCCc51)c1CCCCc1cc2)([O]=P1(O3)Oc2c(c3c(O1)ccc1CCCCc31)c1CCCCc1cc2)(OP1(=[O]4)Oc2ccc3CCCCc3c2c2c3CCCCc3ccc2O1)[N]#CC)[N]#CC.ClCCl.ClCCl.ClCCl.N#CC.N#CC
• 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: 16.46806 ± 0.00008 Å
• b: 18.70016 ± 0.00009 Å
• c: 29.55729 ± 0.00015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9102.33 ± 0.08 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0485
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.1282
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No