Information card for entry 7132849

Structure parameters

• Formula: C48 H68 N5 Ni O1.5 P2 Sc
• Calculated formula: C48 H68 N5 Ni O1.5 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: 10.142 ± 0.014 Å
• b: 10.213 ± 0.012 Å
• c: 23.78 ± 0.03 Å
• α: 77.96 ± 0.03°
• β: 79.02 ± 0.04°
• γ: 81.49 ± 0.05°
• Cell volume: 2350 ± 5 ų
• Cell temperature: 293.15 K
• Ambient diffraction temperature: 293.15 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1134
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1493
• Weighted residual factors for all reflections included in the refinement: 0.1748
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No