Information card for entry 7125992

Structure parameters

• Formula: C24 H16 Cl2 N4 Ni S2
• Calculated formula: C24 H16 Cl2 N4 Ni S2
• SMILES: [Ni]1234(Sc5c([N]1=Cc1[n]2cccc1)cc(Cl)cc5)Sc1c([N]3=Cc2[n]4cccc2)cc(Cl)cc1
• 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: 8.9125 ± 0.0003 Å
• b: 12.1348 ± 0.0005 Å
• c: 12.2295 ± 0.0005 Å
• α: 67.774 ± 0.004°
• β: 69.928 ± 0.003°
• γ: 87.213 ± 0.003°
• Cell volume: 1144.97 ± 0.09 ų
• Cell temperature: 296 K
• Ambient diffraction temperature: 296 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: 0.0429
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0917
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No