Information card for entry 1573164

Structure parameters

• Formula: C73 H86 Ga2 N4
• Calculated formula: C66 H78 Ga2 N4
• Title of publication: Annulated carbocyclic gallylene and bis-gallylene with two-coordinated Ga(i) atoms.
• Authors of publication: Merschel, Arne; Heda, Shkelqim; Vishnevskiy, Yury V.; Neumann, Beate; Stammler, Hans-Georg; Ghadwal, Rajendra S.
• Journal of publication: Chemical science
• Year of publication: 2025
• Journal volume: 16
• Journal issue: 5
• Pages of publication: 2222 - 2230
• a: 12.7988 ± 0.0007 Å
• b: 14.6243 ± 0.0007 Å
• c: 18.1282 ± 0.0009 Å
• α: 80.487 ± 0.004°
• β: 79.632 ± 0.004°
• γ: 85.811 ± 0.004°
• Cell volume: 3288.5 ± 0.3 ų
• Cell temperature: 220 ± 0.1 K
• Ambient diffraction temperature: 220 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1001
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No