Information card for entry 7114477

Structure parameters

• Common name: Compound [4][GaCl4]
• Formula: C5 Cl7 Ga N2 S3
• Calculated formula: C5 Cl7 Ga N2 S3
• SMILES: [Ga](Cl)(Cl)([Cl-])Cl.Clc1c(snc1Cl)c1c(Cl)n[s+]s1
• Title of publication: A ??-stacked 1,2,3-dithiazolyl radical. Preparation and solid state characterization of (Cl2C3NS)(ClC2NS2)
• Authors of publication: Beer, Leanne; Wallace Cordes, A.; Haddon, Robert C.; Itkis, Mikhail E.; Oakley, Richard T.; Reed, Robert W.; Robertson, Craig M.
• Journal of publication: Chemical Communications
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 1872
• a: 7.8222 ± 0.0008 Å
• b: 14.0812 ± 0.0014 Å
• c: 14.4301 ± 0.0015 Å
• α: 90°
• β: 98.882 ± 0.005°
• γ: 90°
• Cell volume: 1570.4 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1695
• Goodness-of-fit parameter for all reflections included in the refinement: 1.355
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No