Information card for entry 7012557

Structure parameters

• Chemical name: (pR,R)-[1-(a-(diphenylphosphanyl)-ethyl)-2-(dicyclohexylphosphanyl)-h6-benzene)Cr(CO)3
• Formula: C42 H48 B Cr F4 O3 P2 Rh
• Calculated formula: C42 H48 B Cr F4 O3 P2 Rh
• SMILES: [Rh]1234([P]([c]56[c]7([Cr]89%105([cH]6[cH]8[cH]9[cH]7%10)(C#[O])(C#[O])C#[O])[C@H]([P]1(c1ccccc1)c1ccccc1)C)(C1CCCCC1)C1CCCCC1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.[B](F)(F)(F)[F-]
• Title of publication: Investigations into the hydrogenation of diolefins and prochiral olefins employing the "Daniphos"-type ligands
• Authors of publication: Braun, Wolfgang; Salzer, Albrecht; Drexler, Hans-Joachim; Spannenberg, Anke; Heller, Detlef
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 8
• Pages of publication: 1606 - 1613
• a: 19.748 ± 0.004 Å
• b: 21.086 ± 0.004 Å
• c: 9.499 ± 0.0019 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3955.4 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 8
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0445
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0642
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.911
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No