Information card for entry 4079275

Structure parameters

• Formula: C45 H38 P Rh
• Calculated formula: C45 H38 P Rh
• SMILES: [Rh]123([P](c4ccccc4)(c4ccccc4)c4ccccc4)(C(=C(c4ccccc4)c4ccccc4)c4ccccc4)[CH]4C5[CH]3=[CH]2C([CH]1=4)C5
• Title of publication: Characterization of the Polymerization Catalyst [(2,5-norbornadiene)Rh{C(Ph)═CPh2}(PPh3)] and Identification of the End Structures of Poly(phenylacetylenes) Obtained by Polymerization Using This Catalyst
• Authors of publication: Kumazawa, Shohei; Rodriguez Castanon, Jesus; Onishi, Naoya; Kuwata, Keiko; Shiotsuki, Masashi; Sanda, Fumio
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 19
• Pages of publication: 6834
• a: 18.996 ± 0.005 Å
• b: 19.838 ± 0.006 Å
• c: 18.726 ± 0.004 Å
• α: 90°
• β: 29.008 ± 0.007°
• γ: 90°
• Cell volume: 3422 ± 1.7 ų
• Cell temperature: 113.1 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 significantly intense reflections: 0.0662
• Weighted residual factors for all reflections included in the refinement: 0.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.092
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No