Information card for entry 7126687

Structure parameters

• Formula: C56 H66 Ga I
• Calculated formula: C56 H66 Ga I
• Title of publication: A transition metal-gallium cluster formed via insertion of "GaI".
• Authors of publication: Blundell, Toby J.; Taylor, Laurence J.; Valentine, Andrew J.; Lewis, William; Blake, Alexander J.; McMaster, Jonathan; Kays, Deborah L.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2020
• Journal volume: 56
• Journal issue: 58
• Pages of publication: 8139 - 8142
• a: 15.1817 ± 0.0003 Å
• b: 17.9327 ± 0.0004 Å
• c: 16.9613 ± 0.0003 Å
• α: 90°
• β: 91.9796 ± 0.0018°
• γ: 90°
• Cell volume: 4614.94 ± 0.16 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120.15 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0529
• Residual factor for significantly intense reflections: 0.0484
• Weighted residual factors for significantly intense reflections: 0.1262
• Weighted residual factors for all reflections included in the refinement: 0.1315
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No