Information card for entry 4328460

Structure parameters

• Chemical name: dichloro(1,5,9,13-tetraselenacyclohexadecane)indium tetrachloroindate(III)
• Formula: C12 H24 Cl6 In2 Se4
• Calculated formula: C12 H24 Cl6 In2 Se4
• SMILES: Cl[In]123(Cl)[Se]4CCC[Se]2CCC[Se]1CCC[Se]3CCC4.Cl[In](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: 6.9436 ± 0.0015 Å
• b: 22.508 ± 0.005 Å
• c: 8.4877 ± 0.0015 Å
• α: 90°
• β: 100.735 ± 0.01°
• γ: 90°
• Cell volume: 1303.3 ± 0.5 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.1182
• Residual factor for significantly intense reflections: 0.0652
• Weighted residual factors for significantly intense reflections: 0.1015
• Weighted residual factors for all reflections included in the refinement: 0.1202
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No