Information card for entry 7220056

Structure parameters

• Formula: C28 H16 Cu2 N6
• Calculated formula: C28 H16 Cu2 N6
• SMILES: c12ccccc2nc2c3n1[Cu]1[n]4c5c(nc6c(cccc6)n5[Cu]1[n]3c1ccccc21)c1c4cccc1
• Title of publication: Cu(I) complex based on 6H-indolo[2,3-b]quinoxaline: structure and electrocatalytic property for hydrogen evolution reaction from water
• Authors of publication: Zhang, Pan; Yang, Xin; Jiang, Peng Gang; Yin, Jun Li; Gong, Yun; Lin, Jian Hua
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.3236 ± 0.0003 Å
• b: 5.6787 ± 0.0002 Å
• c: 22.6705 ± 0.0007 Å
• α: 90°
• β: 90.581 ± 0.003°
• γ: 90°
• Cell volume: 1071.52 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• 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: 0.0773
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1207
• Weighted residual factors for all reflections included in the refinement: 0.1273
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No