Information card for entry 1564635

Structure parameters

• Formula: C21 H26 Cl N2 Rh
• Calculated formula: C21 H26 Cl N2 Rh
• SMILES: [Rh]123(Cl)(=C4N(C=CN4Cc4ccc(cc4)C=C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4
• Title of publication: Amphiphilic polymeric nanoreactors containing Rh(i)–NHC complexes for the aqueous biphasic hydrogenation of alkenes
• Authors of publication: Sambou, Sasaline Salomon; Hromov, Roman; Ruzhylo, Illia; Wang, Hui; Allandrieu, Audrey; Sabatier, Cassandra; Coppel, Yannick; Daran, Jean-Claude; Gayet, Florence; Labande, Agnès; Manoury, Eric; Poli, Rinaldo
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2021
• Journal volume: 11
• Journal issue: 20
• Pages of publication: 6811 - 6824
• a: 12.4856 ± 0.0003 Å
• b: 10.6263 ± 0.0002 Å
• c: 15.2385 ± 0.0004 Å
• α: 90°
• β: 98.181 ± 0.002°
• γ: 90°
• Cell volume: 2001.2 ± 0.08 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0411
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.1002
• Weighted residual factors for all reflections included in the refinement: 0.1045
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No