Information card for entry 7131817

Structure parameters

• Formula: C30 H42 F3 Ga N2 O3 S
• Calculated formula: C30 H42 F3 Ga N2 O3 S
• 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: 8.9025 ± 0.0004 Å
• b: 19.9339 ± 0.0009 Å
• c: 9.8991 ± 0.0005 Å
• α: 90°
• β: 116.469 ± 0.0011°
• γ: 90°
• Cell volume: 1572.56 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.084
• Weighted residual factors for all reflections included in the refinement: 0.0858
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No