Information card for entry 7713680

Structure parameters

• Formula: C78 H92 Ga2 N6 S4
• Calculated formula: C78 H92 Ga2 N6 S4
• Title of publication: N-heterocyclic imine-based bis-gallium(I) carbene analog featuring a four-membered Ga2N2 ring
• Authors of publication: Wang, Bing; Chen, Wenhao; Yang, Jiangnan; Lu, Linfang; Liu, Jiyong; Shen, Liang; Wu, Di
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 12.7756 ± 0.0018 Å
• b: 23.239 ± 0.003 Å
• c: 12.8137 ± 0.0017 Å
• α: 90°
• β: 114.876 ± 0.005°
• γ: 90°
• Cell volume: 3451.3 ± 0.8 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0596
• Weighted residual factors for significantly intense reflections: 0.1618
• Weighted residual factors for all reflections included in the refinement: 0.194
• Goodness-of-fit parameter for all reflections included in the refinement: 1.053
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No