Information card for entry 7131819

Structure parameters

• Formula: C60 H82 Bi F6 Ga2 N4 O6 S2
• Calculated formula: C60 H82 Bi F6 Ga2 N4 O6 S2
• 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: 21.384 ± 0.004 Å
• b: 12.297 ± 0.002 Å
• c: 25.544 ± 0.005 Å
• α: 90°
• β: 102.543 ± 0.004°
• γ: 90°
• Cell volume: 6557 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0544
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0962
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No