Information card for entry 7126046

Structure parameters

• Formula: C54 H72 As Cl4 Ga N3
• Calculated formula: C54 H72 As Cl4 Ga N3
• SMILES: [As](C(=C1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)c1ccccc1)=C1N(C(CC1(C)C)(C)C)c1c(cccc1C(C)C)C(C)C.[Ga]([Cl-])(Cl)(Cl)Cl
• 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: 11.4502 ± 0.0003 Å
• b: 19.3524 ± 0.0005 Å
• c: 25.1018 ± 0.0007 Å
• α: 76.229 ± 0.002°
• β: 89.254 ± 0.002°
• γ: 88.856 ± 0.002°
• Cell volume: 5401.1 ± 0.3 ų
• Cell temperature: 99.99 ± 0.16 K
• Ambient diffraction temperature: 99.99 ± 0.16 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1135
• Weighted residual factors for all reflections included in the refinement: 0.1294
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No