Information card for entry 1571446

Structure parameters

• Common name: Ni3(H3sal-dahp)?DMF
• Chemical name: C42H50N6Ni3O12
• Formula: C42 H50 N6 Ni3 O12
• Calculated formula: C42 H48 N6 Ni3 O12
• Title of publication: Amorphous conversion in pyrolytic symmetric trinuclear nickel clusters trigger trifunctional electrocatalysts.
• Authors of publication: Li, Li; Zhao, Hui-Feng; Gan, Mei-Xing; Zhang, Tao; Li, Jia-Ning; Tao, Shi; Peng, Jing; Yu, Hai-Bin; Peng, Xu
• Journal of publication: Chemical science
• Year of publication: 2024
• Journal volume: 15
• Journal issue: 20
• Pages of publication: 7689 - 7697
• a: 10.6889 ± 0.0007 Å
• b: 14.1596 ± 0.0009 Å
• c: 15.3942 ± 0.0009 Å
• α: 82.996 ± 0.005°
• β: 87.336 ± 0.005°
• γ: 68.73 ± 0.006°
• Cell volume: 2155 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0759
• Residual factor for significantly intense reflections: 0.0683
• Weighted residual factors for significantly intense reflections: 0.1949
• Weighted residual factors for all reflections included in the refinement: 0.2012
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No