Information card for entry 1573166

Structure parameters

• Formula: C88 H88 F12 Ga2 N6
• Calculated formula: C76 H78 F10 Ga2 N6
• 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: 21.1589 ± 0.0005 Å
• b: 19.2641 ± 0.0004 Å
• c: 19.4975 ± 0.0004 Å
• α: 90°
• β: 91.377 ± 0.002°
• γ: 90°
• Cell volume: 7945 ± 0.3 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0712
• Residual factor for significantly intense reflections: 0.0675
• Weighted residual factors for significantly intense reflections: 0.1644
• Weighted residual factors for all reflections included in the refinement: 0.1664
• Goodness-of-fit parameter for all reflections included in the refinement: 1.174
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No