Information card for entry 4065964

Structure parameters

• Formula: C20 H32 Cl2 Rh2
• Calculated formula: C20 H32 Cl2 Rh2
• SMILES: [Rh]1234([Cl][Rh]567([Cl]1)[C]1(=[CH]6CC[C]7(=[CH]5CC1)C)C)[C]1(=[CH]3CC[C]4(=[CH]2CC1)C)C
• Title of publication: Ligand Design in Rh(diene)-Mediated “Carbene” Polymerization; Efficient Synthesis of High-Mass, Highly Stereoregular, and Fully Functionalized Carbon-Chain Polymers
• Authors of publication: Jellema, Erica; Jongerius, Anna L.; Walters, Annemarie J. C.; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 12
• Pages of publication: 2823
• a: 11.0987 ± 0.0008 Å
• b: 14.4483 ± 0.0012 Å
• c: 12.7931 ± 0.0006 Å
• α: 90°
• β: 94.926 ± 0.005°
• γ: 90°
• Cell volume: 2043.9 ± 0.2 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0294
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for all reflections: 0.0505
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0505
• Goodness-of-fit parameter for all reflections: 1.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No