Information card for entry 7131822

Structure parameters

• Formula: C134 H118 B2 Bi2 F48 Ga2 N4
• Calculated formula: C134 H118 B2 Bi2 F48 Ga2 N4
• Title of publication: Metal-coordinated distibene and dibismuthene dications - isoelectronic analogues of butadiene dications.
• Authors of publication: Weinert, Hanns M.; Schulte, Yannick; Gehlhaar, Alexander; Wölper, Christoph; Haberhauer, Gebhard; Schulz, Stephan
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• Journal volume: 59
• Journal issue: 50
• Pages of publication: 7755 - 7758
• a: 13.615 ± 0.002 Å
• b: 19.075 ± 0.003 Å
• c: 26.067 ± 0.004 Å
• α: 90°
• β: 91.714 ± 0.003°
• γ: 90°
• Cell volume: 6766.7 ± 1.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.1174
• Residual factor for significantly intense reflections: 0.0527
• Weighted residual factors for significantly intense reflections: 0.0864
• Weighted residual factors for all reflections included in the refinement: 0.1017
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No