Information card for entry 1513285

Structure parameters

• Formula: C32 H30 B Cl2 Rh
• Calculated formula: C32 H30 B Cl2 Rh
• SMILES: [Rh]12345678([c]9([cH]1[cH]2[cH]3[cH]4[cH]59)[B](c1ccccc1)(c1ccccc1)c1ccccc1)[CH]1=[CH]6C2[CH]7=[CH]8C1C2.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: 10.3734 ± 0.0008 Å
• b: 9.5048 ± 0.0007 Å
• c: 27.27 ± 0.003 Å
• α: 90°
• β: 93.498 ± 0.005°
• γ: 90°
• Cell volume: 2683.7 ± 0.4 ų
• Cell temperature: 143.15 K
• Number of distinct elements: 5
• 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: 0.0732
• Weighted residual factors for all reflections included in the refinement: 0.0798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No