Information card for entry 7024176

Structure parameters

• Formula: C8 H8 Ba Cl8 Ga2
• Calculated formula: C8 H8 Ba Cl8 Ga2
• SMILES: c1cc(ccc1).[Ba+2].[Cl-][Ga](Cl)(Cl)Cl.c1ccccc1.[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: 24.271 ± 0.003 Å
• b: 14.0021 ± 0.0009 Å
• c: 19.27 ± 0.003 Å
• α: 90°
• β: 100.142 ± 0.007°
• γ: 90°
• Cell volume: 6446.5 ± 1.4 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• 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: 0.0929
• Residual factor for significantly intense reflections: 0.0501
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1282
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No