Information card for entry 4341440

Structure parameters

• Formula: C18 H4 Ba12 In
• Calculated formula: C18 H4 Ba12 In
• SMILES: C(=[C-2])=[C-2].[Ba+2].[In+3].[Ba+2].[C-2]=C=[C-2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[C-2]=C=[C-2].[Ba+2].[Ba+2].[Ba+2].[Ba+2].[H-].[H-].[H-].[H-]
• Title of publication: Ca12InC13-x and Ba12InC18H4: Alkaline-Earth Indium Allenylides Synthesized in AE/Li Flux (AE = Ca, Ba).
• Authors of publication: Blankenship, Trevor V.; Dickman, Matthew J.; van de Burgt, Lambertus J.; Latturner, Susan E.
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 3
• Pages of publication: 914 - 921
• a: 11.1447 ± 0.0007 Å
• b: 11.1447 ± 0.0007 Å
• c: 11.1447 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1384.22 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 204
• Hermann-Mauguin space group symbol: I m -3
• Hall space group symbol: -I 2 2 3
• Residual factor for all reflections: 0.0178
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0447
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.272
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No