Information card for entry 7132851

Structure parameters

• Formula: C43 H58 N5 Ni P2 Sc
• Calculated formula: C43 H58 N5 Ni P2 Sc
• SMILES: [Ni]123([Sc]456[n]7c3cccc7C[N]4(Cc3ccccc3N5C[P]1(C(C)C)C(C)C)Cc1ccccc1N6C[P]2(C(C)C)C(C)C)C#[N]c1c(cccc1C)C
• 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: 12.237 ± 0.015 Å
• b: 13.83 ± 0.02 Å
• c: 15.21 ± 0.02 Å
• α: 68.64 ± 0.05°
• β: 72.04 ± 0.03°
• γ: 64.89 ± 0.03°
• Cell volume: 2134 ± 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: 0.1178
• Residual factor for significantly intense reflections: 0.0626
• Weighted residual factors for significantly intense reflections: 0.1243
• Weighted residual factors for all reflections included in the refinement: 0.1478
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No