Information card for entry 7131814

Structure parameters

• Formula: C62 H86 Cl4 F6 Ga2 N4 O6 S2 Sb2
• Calculated formula: C62 H86 Cl4 F6 Ga2 N4 O6 S2 Sb2
• 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: 27.5361 ± 0.0013 Å
• b: 15.2489 ± 0.0007 Å
• c: 21.8879 ± 0.0011 Å
• α: 90°
• β: 126.335 ± 0.001°
• γ: 90°
• Cell volume: 7403.7 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 9
• 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: 0.0523
• Residual factor for significantly intense reflections: 0.0523
• Weighted residual factors for significantly intense reflections: 0.1362
• Weighted residual factors for all reflections included in the refinement: 0.1362
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No