Information card for entry 7024175

Structure parameters

• Formula: C8 H8 Ba Cl8 Ga2
• Calculated formula: C8 H8 Ba Cl8 Ga2
• SMILES: c1ccccc1.c1ccccc1.[Ba+2].[Cl-][Ga](Cl)(Cl)Cl.[Cl-][Ga](Cl)(Cl)Cl
• Title of publication: Dimorphic (Ba[GaCl(4)](2))(3).2C(6)H(6): a case of coordination extremes.
• Authors of publication: Lindsjö, Martin; Fischer, Andreas; Kloo, Lars
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 6
• Pages of publication: 1467 - 1469
• a: 13.955 ± 0.005 Å
• b: 13.955 ± 0.005 Å
• c: 33.13 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5587 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.069
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.117
• Weighted residual factors for all reflections included in the refinement: 0.137
• Goodness-of-fit parameter for all reflections included in the refinement: 1.17
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No