Information card for entry 2007513

Structure parameters

• Chemical name: Carbonyl(1,3-diphenyl-1,3-propanedionato-κO,κO)(4-methyl-2,6,7-trioxa-1- phosphabicyclo[2.2.2]octane)rhodium(I)
• Formula: C21 H20 O6 P Rh
• Calculated formula: C21 H20 O6 P Rh
• SMILES: [Rh]1(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([P]12OCC(CO1)(CO2)C)C#[O]
• Title of publication: Carbonyl(1,3-diphenyl-1,3-propanedionato-<i>O</i>,<i>O</i>')(4-methyl-2,6,7-trioxa-1-phosphabicyclo[2.2.2]octane-<i>P</i>)rhodium(I)
• Authors of publication: Erasmus, Johannes J. C.; Lamprecht, Gert J.; Kohzuma, Takamitsu; Nakano, Yoshiharu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1085 - 1087
• a: 11.715 ± 0.002 Å
• b: 11.385 ± 0.005 Å
• c: 16.071 ± 0.003 Å
• α: 90°
• β: 104.57 ± 0.01°
• γ: 90°
• Cell volume: 2074.5 ± 1.1 ų
• Cell temperature: 298.2 K
• Ambient diffraction temperature: 298.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/a 1
• Hall space group symbol: -P 2yab
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for all reflections included in the refinement: 0.187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No