Information card for entry 7049377

Structure parameters

• Formula: C60 H72 N6 Ni3
• Calculated formula: C60 H72 N6 Ni3
• Title of publication: Cyclotrimerization of alkynes catalyzed by a self-supported cyclic tri-nuclear nickel(0) complex with α-diimine ligands.
• Authors of publication: Shen, Lingyi; Zhao, Yanxia; Luo, Qiong; Li, Qian-Shu; Liu, Bin; Redshaw, Carl; Wu, Biao; Yang, Xiao-Juan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 14
• Pages of publication: 4643 - 4649
• a: 13.172 ± 0.0018 Å
• b: 20.129 ± 0.003 Å
• c: 21.285 ± 0.003 Å
• α: 90°
• β: 103.793 ± 0.002°
• γ: 90°
• Cell volume: 5480.7 ± 1.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0725
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1092
• Weighted residual factors for all reflections included in the refinement: 0.1279
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No