Information card for entry 4328459

Structure parameters

• Chemical name: dichloro(1,5,9,13-tetraselenacyclohexadecane)gallium tetrachlorogallate(III)
• Formula: C12 H24 Cl6 Ga2 Se4
• Calculated formula: C12 H24 Cl6 Ga2 Se4
• SMILES: [Ga]123([Se]4CCC[Se]1CCC[Se]2CCC[Se]3CCC4)(Cl)Cl.[Ga](Cl)([Cl-])(Cl)Cl
• Title of publication: Unexpected Reactivity and Coordination in Gallium(III) and Indium(III) Chloride Complexes With Geometrically Constrained Thio- and Selenoether Ligands
• Authors of publication: Kathryn George; Marek Jura; William Levason; Mark E. Light; Luke P. Ollivere; Gillian Reid
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 2231 - 2240
• a: 9.9535 ± 0.001 Å
• b: 21.461 ± 0.004 Å
• c: 23.331 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4983.8 ± 1.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0558
• Residual factor for significantly intense reflections: 0.0371
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0851
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No