Information card for entry 7125993

Structure parameters

• Formula: C29 H22 F6 N4 Ni O S2
• Calculated formula: C29 H22 F6 N4 Ni O 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: 10.3997 ± 0.0002 Å
• b: 12.7078 ± 0.0002 Å
• c: 13.3086 ± 0.0003 Å
• α: 114.49 ± 0.002°
• β: 111.726 ± 0.002°
• γ: 92.4482 ± 0.0017°
• Cell volume: 1446.31 ± 0.06 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0329
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No