Information card for entry 1516450

Structure parameters

• Formula: C30 H29 B Cl3 F8 N P Rh
• Calculated formula: C30 H29 B Cl3 F8 N P Rh
• SMILES: [Rh]1234([P](c5ccccc5)(c5ccccc5)CCC[N]1(C)C)[CH]1=[CH]2C2c5c(C1[CH]3=[CH]42)c(F)c(F)c(F)c5F.C(Cl)(Cl)Cl.[B](F)(F)(F)[F-]
• Title of publication: Cationic Rhodium Complexes with Hemilabile Phosphine Ligands as Polymerization Catalyst for High Molecular Weight Stereoregular Poly(phenylacetylene)
• Authors of publication: Jiménez, M. Victoria; Pérez-Torrente, Jesús J.; Bartolomé, M. Isabel; Vispe, Eugenio; Lahoz, Fernando J.; Oro, Luis A.
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 8146
• a: 12.355 ± 0.002 Å
• b: 19.72 ± 0.003 Å
• c: 12.934 ± 0.002 Å
• α: 90°
• β: 93.83 ± 0.003°
• γ: 90°
• Cell volume: 3144.2 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.1027
• Residual factor for significantly intense reflections: 0.0537
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1313
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No