Information card for entry 7713678

Structure parameters

• Formula: C70 H90 F6 Ga2 N6 O6 S2
• Calculated formula: C70 H90 F6 Ga2 N6 O6 S2
• 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: 21.4469 ± 0.0007 Å
• b: 17.9353 ± 0.0006 Å
• c: 18.5471 ± 0.0006 Å
• α: 90°
• β: 105.194 ± 0.001°
• γ: 90°
• Cell volume: 6884.9 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0386
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0755
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No