Information card for entry 1569186

Structure parameters

• Formula: C46 H37 Br2 Cl2 N Ni O P2 S2
• Calculated formula: C46 H37 Br2 Cl2 N Ni O P2 S2
• Title of publication: Electrocatalytic hydrogen evolution by robust square planar nickel complexes in an S2P2 coordination environment
• Authors of publication: Chen, Luo; Li, Tao; Xie, Bin; Lai, Chuan; Ji, Run-Wu; He, Jia-Yu; Cao, Jia-Xi; Liu, Meng-Nan; Li, Wei; Zhang, Dong-Liang
• Journal of publication: Catalysis Science & Technology
• Year of publication: 2023
• Journal volume: 13
• Journal issue: 12
• Pages of publication: 3655 - 3666
• a: 8.874 ± 0.017 Å
• b: 16.683 ± 0.012 Å
• c: 16.979 ± 0.012 Å
• α: 118.128 ± 0.004°
• β: 102.945 ± 0.004°
• γ: 94.354 ± 0.006°
• Cell volume: 2112 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0876
• Residual factor for significantly intense reflections: 0.0666
• Weighted residual factors for significantly intense reflections: 0.186
• Weighted residual factors for all reflections included in the refinement: 0.1993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No