Information card for entry 7125997

Structure parameters

• Formula: C46 H52 Cl4 Co N4 Ni S2
• Calculated formula: C46 H52 Cl4 Co N4 Ni S2
• Title of publication: Photocatalytic and electrocatalytic hydrogen production using nickel complexes supported by hemilabile and non-innocent ligands.
• Authors of publication: Inoue, Satoshi; Yan, Yin-Nan; Yamanishi, Katsunori; Kataoka, Yusuke; Kawamoto, Tatsuya
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 19
• Pages of publication: 2829 - 2832
• a: 12.3345 ± 0.0004 Å
• b: 22.2711 ± 0.0006 Å
• c: 18.1248 ± 0.0007 Å
• α: 90°
• β: 109.54 ± 0.004°
• γ: 90°
• Cell volume: 4692.2 ± 0.3 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0863
• Residual factor for significantly intense reflections: 0.0767
• Weighted residual factors for significantly intense reflections: 0.2118
• Weighted residual factors for all reflections included in the refinement: 0.2248
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No