Information card for entry 7126050

Structure parameters

• Formula: C54 H72 As Cl8 Ga2 N3
• Calculated formula: C54 H72 As Cl8 Ga2 N3
• Title of publication: Isolation of singlet carbene derived 2-arsa-1,3-butadiene radical cations and dications.
• Authors of publication: Sharma, Mahendra K.; Blomeyer, Sebastian; Neumann, Beate; Stammler, Hans-Georg; Hinz, Alexander; van Gastel, Maurice; Ghadwal, Rajendra S.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 24
• Pages of publication: 3575 - 3578
• a: 18.8893 ± 0.0004 Å
• b: 26.1136 ± 0.0004 Å
• c: 24.2536 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 11963.5 ± 0.4 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.085
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1669
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No