Information card for entry 4080000

Structure parameters

• Formula: C43 H40 P Rh
• Calculated formula: C43 H40 P Rh
• SMILES: [Rh]1234([P](CCCC[C]51[C@@H]1[CH]4=[CH]3[C@H]([CH]2=5)C1)(c1ccccc1)c1ccccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1.[Rh]1234([P](CCCC[C]51[C@H]1[CH]4=[CH]3[C@@H]([CH]2=5)C1)(c1ccccc1)c1ccccc1)C(=C(c1ccccc1)c1ccccc1)c1ccccc1
• Title of publication: Polymerization of Phenylacetylenes Using Rhodium Catalysts Coordinated by Norbornadiene Linked to a Phosphino or Amino Group
• Authors of publication: Onishi, Naoya; Shiotsuki, Masashi; Masuda, Toshio; Sano, Natsuhiro; Sanda, Fumio
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 3
• Pages of publication: 846
• a: 9.8642 ± 0.0016 Å
• b: 33.579 ± 0.005 Å
• c: 10.1044 ± 0.0016 Å
• α: 90°
• β: 103.159 ± 0.002°
• γ: 90°
• Cell volume: 3259 ± 0.9 ų
• Cell temperature: 293.1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No