Information card for entry 1516137

Structure parameters

• Formula: C50 H47 Cl O2 P2 Rh
• Calculated formula: C49.2 H46.4 Cl O1.8 P2 Rh
• SMILES: [Rh]1234(Cl)([P](c5cccc6c5Oc5c([P]1(c1ccccc1)c1ccccc1)cccc5C6(C)C)(c1ccccc1)c1ccccc1)[CH]1=[CH]2C2[CH]3=[CH]4C1C2.O1CCCC1
• Title of publication: Rhodium diphosphine complexes: a case study for catalyst activation and deactivation
• Authors of publication: Meißner, Antje; Alberico, Elisabetta; Drexler, Hans-Joachim; Baumann, Wolfgang; Heller, Detlef
• Journal of publication: Catal. Sci. Technol.
• Year of publication: 2014
• Journal volume: 4
• Journal issue: 10
• Pages of publication: 3409
• a: 10.1367 ± 0.0013 Å
• b: 10.1518 ± 0.0013 Å
• c: 21.075 ± 0.003 Å
• α: 93.865 ± 0.005°
• β: 102.017 ± 0.005°
• γ: 108.917 ± 0.005°
• Cell volume: 1985.2 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0701
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.098
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No