Information card for entry 2234127

Structure parameters

• Chemical name: Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5- tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate
• Formula: C80 H79 O11 P2 Rh
• Calculated formula: C80 H79 O11 P2 Rh
• SMILES: CCOCC.C(#[O])[RhH]1(C#[O])[P]2(OC(C(c3ccccc3)(c3ccccc3)O2)(c2ccccc2)c2ccccc2)Oc2c(cc(cc2c2c(c(cc(c2)OC)C(C)(C)C)O[P]21OC(C(c1ccccc1)(c1ccccc1)O2)(c1ccccc1)c1ccccc1)OC)C(C)(C)C
• Title of publication: Dicarbonyl{3,3'-di-<i>tert</i>-butyl-5,5'-dimethoxy-2,2'-bis[(4,4,5,5-tetraphenyl-1,3,2-dioxaphospholan-2-yl)oxy-κ<i>P</i>]biphenyl}hydridorhodium(I) diethyl ether monosolvate
• Authors of publication: Selent, Detlef; Spannenberg, Anke; Börner, Armin
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 4
• Pages of publication: m488
• a: 11.1489 ± 0.0002 Å
• b: 25.8458 ± 0.0004 Å
• c: 12.5941 ± 0.0003 Å
• α: 90°
• β: 110.263 ± 0.002°
• γ: 90°
• Cell volume: 3404.43 ± 0.12 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 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: 0.0326
• Residual factor for significantly intense reflections: 0.0277
• Weighted residual factors for significantly intense reflections: 0.0617
• Weighted residual factors for all reflections included in the refinement: 0.0625
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes