Information card for entry 1550467

Structure parameters

• Formula: C8 H20 Cl3 Ga N4
• Calculated formula: C8 H20 Cl3 Ga N4
• SMILES: [Ga]123(Cl)(Cl)[NH]4CC[NH]3CC[NH]1CC[NH]2CC4.[Cl-]
• Title of publication: Electrocatalytic hydrogen evolution with gallium hydride and ligand-centered reduction
• Authors of publication: Wang, Ni; Lei, Haitao; Zhang, Zongyao; Li, Jianfeng; Zhang, Wei; Cao, Rui
• Journal of publication: Chemical Science
• Year of publication: 2019
• a: 14.5269 ± 0.0018 Å
• b: 7.3499 ± 0.0009 Å
• c: 12.7491 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1361.2 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0194
• Weighted residual factors for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.0472
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No