Information card for entry 1513284

Structure parameters

• Formula: C79 H66 B2 Cl2 F8 Rh2
• Calculated formula: C79 H66 B2 Cl2 F8 Rh2
• SMILES: [Rh]12345678([c]9([cH]1[cH]2[cH]3[cH]4[cH]59)[B](c1ccccc1)(c1ccccc1)c1ccccc1)[C]1(=[CH]6C2([CH]7=[C]8(C1c1c2c(F)c(F)c(F)c1F)C)C)C.ClCCl
• Title of publication: Polymerization of Phenylacetylenes with Rhodium Zwitterionic Complexes: Enhanced Catalytic Activity by π-Acidic Diene Ligands
• Authors of publication: Onishi, Naoya; Shiotsuki, Masashi; Sanda, Fumio; Masuda, Toshio
• Journal of publication: Macromolecules
• Year of publication: 2009
• Journal volume: 42
• Journal issue: 12
• Pages of publication: 4071
• a: 10.738 ± 0.003 Å
• b: 17.678 ± 0.005 Å
• c: 18.571 ± 0.005 Å
• α: 70.184 ± 0.007°
• β: 80.176 ± 0.011°
• γ: 81.192 ± 0.011°
• Cell volume: 3250.6 ± 1.6 ų
• Cell temperature: 143.15 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 significantly intense reflections: 0.057
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No