Information card for entry 7220057

Structure parameters

• Formula: C14 H9 N3
• Calculated formula: C14 H9 N3
• SMILES: n1c2[nH]c3c(c2nc2c1cccc2)cccc3
• 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: 5.9177 ± 0.0005 Å
• b: 9.092 ± 0.008 Å
• c: 18.7984 ± 0.0019 Å
• α: 90°
• β: 91.947 ± 0.001°
• γ: 90°
• Cell volume: 1010.8 ± 0.9 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 3
• 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: 0.1337
• Residual factor for significantly intense reflections: 0.0754
• Weighted residual factors for significantly intense reflections: 0.1659
• Weighted residual factors for all reflections included in the refinement: 0.2059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No