Information card for entry 7721048

Structure parameters

• Common name: 811 C-192-2-1 RhTp(eta4-3,4-(COOtBu)2-1,3-hexadiene)
• Formula: C25 H36 B N6 O4 Rh
• Calculated formula: C25 H36 B N6 O4 Rh
• Title of publication: Experimental and theoretical studies on the (co)cyclotrimerization of alkynes (and ethylene) in a TpRh compound
• Authors of publication: Bottari, Giovanni; Moreno, Juan J.; Salazar, Verónica; Campos, Jesús; Mereiter, Kurt; Rendón, Nuria; Cerón-Castelán, Jesus Emmanuel; Lopez-Serrano, Joaquin; Paneque, Margarita; Santos, Laura L.
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.9717 ± 0.0005 Å
• b: 8.9893 ± 0.0005 Å
• c: 17.3228 ± 0.0009 Å
• α: 84.085 ± 0.002°
• β: 86.363 ± 0.002°
• γ: 79.803 ± 0.002°
• Cell volume: 1366.23 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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 all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0677
• Weighted residual factors for all reflections included in the refinement: 0.0684
• 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