Information card for entry 4510836

Structure parameters

• Formula: C35 H38 P Rh
• Calculated formula: C35 H38 P Rh
• SMILES: [Rh]123(c4c(cc(cc4C)C)C)([CH]4=[CH]1CC[CH]2=[CH]3CC4)[P](c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Rh-Mediated Carbene Polymerization: from Multistep Catalyst Activation to Alcohol-Mediated Chain-Transfer
• Authors of publication: Walters, Annemarie J. C.; Jellema, Erica; Finger, Markus; Aarnoutse, Petra; Smits, Jan M. M.; Reek, Joost N. H.; de Bruin, Bas
• Journal of publication: ACS Catalysis
• Year of publication: 2012
• Journal volume: 2
• Journal issue: 2
• Pages of publication: 246
• a: 32.151 ± 0.004 Å
• b: 9.3724 ± 0.001 Å
• c: 19.869 ± 0.003 Å
• α: 90°
• β: 107.394 ± 0.009°
• γ: 90°
• Cell volume: 5713.4 ± 1.3 ų
• Cell temperature: 208 ± 2 K
• Ambient diffraction temperature: 208 ± 2 K
• Number of distinct elements: 4
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0502
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections: 0.094
• Weighted residual factors for significantly intense reflections: 0.0905
• Weighted residual factors for all reflections included in the refinement: 0.094
• Goodness-of-fit parameter for all reflections: 1.247
• Goodness-of-fit parameter for all reflections included in the refinement: 1.247
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No