Information card for entry 2019652

Structure parameters

• Chemical name: [(1<i>R</i>,1'<i>R</i>,2<i>R</i>,2'<i>R</i>)-2,2'-Bis(diphenylphosphanyl)-1,1'-dicyclopentane](η^4^-norbornadiene)rhodium(I) tetrafluoroborate
• Formula: C41 H44 B F4 P2 Rh
• Calculated formula: C41 H44 B F4 P2 Rh
• SMILES: [Rh]1234([P]([C@@H]5CCC[C@@H]5[C@H]5CCC[C@H]5[P]1(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)[C@@H]1[C@H]2C2[C@H]3[C@H]4C1C2.[B](F)(F)(F)[F-]
• Title of publication: Two precatalysts for application in asymmetric homogeneous hydrogenation
• Authors of publication: Meißner, Antje; Pribbenow, Cornelia; Drexler, Hans-Joachim; Heller, Detlef
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 10
• Pages of publication: 941 - 944
• a: 10.002 ± 0.002 Å
• b: 9.0293 ± 0.0018 Å
• c: 39.251 ± 0.008 Å
• α: 90°
• β: 95.17 ± 0.03°
• γ: 90°
• Cell volume: 3530.4 ± 1.2 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0951
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 0.833
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes