Information card for entry 4514871

Structure parameters

• Formula: C54.5 H46 Ni O P2
• Calculated formula: C54.5 H46 Ni O P2
• Title of publication: Enhanced Catalytic Activity of Nickel Complexes of an Adaptive Diphosphine-Benzophenone Ligand in Alkyne Cyclotrimerization.
• Authors of publication: Orsino, Alessio F.; Gutiérrez Del Campo, Manuel; Lutz, Martin; Moret, Marc-Etienne
• Journal of publication: ACS catalysis
• Year of publication: 2019
• Journal volume: 9
• Journal issue: 3
• Pages of publication: 2458 - 2481
• a: 10.3659 ± 0.0004 Å
• b: 14.4217 ± 0.0006 Å
• c: 16.331 ± 0.0007 Å
• α: 102.781 ± 0.0013°
• β: 99.4257 ± 0.0013°
• γ: 110.567 ± 0.0013°
• Cell volume: 2149.77 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0611
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0855
• Weighted residual factors for all reflections included in the refinement: 0.0947
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No