Information card for entry 7131823

Structure parameters

• Formula: C118 H90 B2 Bi2 F44 Ga2 N4
• Calculated formula: C118 H90 B2 Bi2 F44 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: 14.5343 ± 0.0006 Å
• b: 14.8399 ± 0.0005 Å
• c: 15.7735 ± 0.0006 Å
• α: 67.1304 ± 0.0016°
• β: 67.4082 ± 0.0017°
• γ: 75.032 ± 0.0016°
• Cell volume: 2870.32 ± 0.19 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0688
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No