Information card for entry 7132847

Structure parameters

• Formula: C46 H59 N6 Ni P2 Sc
• Calculated formula: C46 H59 N6 Ni P2 Sc
• Title of publication: A scandium metalloligand supported Ni(0) complex with a heterobimetallocycle: versatile reactivity with unsaturated bonds.
• Authors of publication: Ma, Lei; Pan, Xiaowei; Hong, Dongjing; Fang, Huayi; Cui, Peng
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 31
• Pages of publication: 4222 - 4225
• a: 10.9882 ± 0.0014 Å
• b: 11.7463 ± 0.0015 Å
• c: 18.988 ± 0.002 Å
• α: 74.157 ± 0.002°
• β: 89.563 ± 0.002°
• γ: 72.84 ± 0.002°
• Cell volume: 2245.6 ± 0.5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 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: 0.092
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.0934
• Weighted residual factors for all reflections included in the refinement: 0.1092
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No