Information card for entry 4070845

Structure parameters

• Formula: C28 H38 Cl3 O3 Rh
• Calculated formula: C28 H38 Cl3 O3 Rh
• SMILES: ClC(Cl)Cl.[Rh]1234567([c]8([C@H]9[C@H](O)CCC9)[c]2([cH]1[c]3([cH]48)[C@@H]1CCC[C@H]1O)[C@@H]1[C@@H](O)CCC1)[CH]1=[CH]5C2[CH]6=[CH]7C1C2.ClC(Cl)Cl.[Rh]1234567([c]8([C@@H]9[C@@H](O)CCC9)[c]2([cH]1[c]3([cH]48)[C@H]1CCC[C@@H]1O)[C@H]1[C@H](O)CCC1)[CH]1=[CH]5C2[CH]6=[CH]7C1C2
• Title of publication: Diastereoselective Synthesis of New Rhodium-Based Amphiphilic Polyol-Cp Systems
• Authors of publication: Bordoni, Silvia; Natanti, Paolo; Cerini, Stefano; Tarroni, Riccardo; Monari, Magda; Piccinelli, Fabio; Busetto, Luigi
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 5
• Pages of publication: 945
• a: 9.6097 ± 0.0004 Å
• b: 11.3454 ± 0.0005 Å
• c: 14.8142 ± 0.0007 Å
• α: 104.724 ± 0.001°
• β: 96.667 ± 0.001°
• γ: 115.065 ± 0.001°
• Cell volume: 1368.05 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0432
• Residual factor for significantly intense reflections: 0.0399
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No