Information card for entry 4332025

Structure parameters

• Formula: C3 H12 Ga N3 Ni0.5 S2
• Calculated formula: C3 H12 Ga N3 Ni0.5 S2
• Title of publication: From One-Dimensional Chains to Three-Dimensional Networks: Solvothermal Synthesis of Thiogallates in Ethylenediamine
• Authors of publication: Vaqueiro, Paz
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 10
• Pages of publication: 4150 - 4156
• a: 9.451 ± 0.001 Å
• b: 15.1416 ± 0.0015 Å
• c: 12.2387 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1751.4 ± 0.3 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for all reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0232
• Weighted residual factors for all reflections included in the refinement: 0.0232
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0726
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No