Information card for entry 2021528

Structure parameters

• Chemical name: Bis[μ-(4,8-di-<i>tert</i>-butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>]\ [1,3,2]dioxaphosphepin-6-yl)oxy]-1:2κ^2^<i>P</i>:\ <i>O</i>;\ 1:2κ^2^<i>O</i>:<i>P</i>-bis{[6-([1,1'-biphenyl]-2-yloxy)-4,8-di-<i>tert</i>-\ butyl-2,10-dimethoxydibenzo[<i>d</i>,<i>f</i>][1,3,2]dioxaphosphepine-\ κ<i>P</i>]carbonylrhodium} toluene tatrasolvate
• Formula: C142 H162 O22 P4 Rh2
• Calculated formula: C142 H162 O22 P4 Rh2
• SMILES: [Rh]1([P]2(Oc3c(cccc3)c3ccccc3)Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)([P]2(Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)O[Rh]([P]2(Oc3ccccc3c3ccccc3)Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)([P]2(Oc3c(cc(OC)cc3c3cc(OC)cc(c3O2)C(C)(C)C)C(C)(C)C)O1)C#[O])C#[O].c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C.c1(ccccc1)C
• Title of publication: A dinuclear phosphite rhodium(I) complex obtained by syngas treatment of a Rh/hydroxy phosphonite olefin hydroformylation precatalyst
• Authors of publication: Selent, Detlef; Spannenberg, Anke; Kubis, Christoph; Börner, Armin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 4
• Pages of publication: 398 - 401
• a: 13.41 ± 0.0005 Å
• b: 15.5455 ± 0.0005 Å
• c: 31.157 ± 0.0011 Å
• α: 90°
• β: 98.743 ± 0.0014°
• γ: 90°
• Cell volume: 6419.7 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.087
• Weighted residual factors for all reflections included in the refinement: 0.0929
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes