Information card for entry 1546581

Structure parameters

• Formula: C28 H16 N10 Ni S4
• Calculated formula: C28 H16 N10 Ni S4
• SMILES: [Ni]1234(N(=Nc5sc6c([n]15)cccc6)=Nc1sc5c([n]21)cccc5)[n]1c2ccccc2sc1N=N4=Nc1sc2c([n]31)cccc2
• Title of publication: A coordinatively saturated nickel complex supported by triazenido ligands: a new electrocatalyst for hydrogen generation via ligand-centered proton-transfer
• Authors of publication: Xue, Dan; Luo, Su-Ping; Zhan, Shu-Zhong
• Journal of publication: New Journal of Chemistry
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 16
• Pages of publication: 8503 - 8508
• a: 10.256 ± 0.008 Å
• b: 10.256 ± 0.008 Å
• c: 13.16 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1384.2 ± 1.9 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0678
• Weighted residual factors for significantly intense reflections: 0.1619
• Weighted residual factors for all reflections included in the refinement: 0.1654
• 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: No
• Has Fobs: No