Information card for entry 7703416

Structure parameters

• Formula: C61 H87 Co N3 P3 Zr
• Calculated formula: C61 H87 Co N3 P3 Zr
• Title of publication: Dimerization of terminal alkynes promoted by a heterobimetallic Zr/Co complex.
• Authors of publication: Beattie, Jeffrey W.; Wang, Canning; Zhang, Hongtu; Krogman, Jeremy P.; Foxman, Bruce M.; Thomas, Christine M.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2407 - 2411
• a: 12.0196 ± 0.0009 Å
• b: 34.104 ± 0.003 Å
• c: 13.9512 ± 0.0009 Å
• α: 90°
• β: 97.923 ± 0.002°
• γ: 90°
• Cell volume: 5664.2 ± 0.7 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1064
• Residual factor for significantly intense reflections: 0.0502
• Weighted residual factors for all reflections: 0.0912
• Weighted residual factors for significantly intense reflections: 0.0731
• Weighted residual factors for all reflections included in the refinement: 0.0912
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No