Information card for entry 7126689

Structure parameters

• Formula: C32 H41 Co Ga4 I8 O
• Calculated formula: C32 H41 Co Ga4 I8 O
• SMILES: [I]1[Ga]23[I][Ga]4([I][Ga]1(I)[Co]1567824[c]2(c4c3c(ccc4)c3c(c(c(c(c3C)C)C)C)C)[c]1([c]5([c]7([c]6([c]82C)C)C)C)C)I.I[Ga](I)(I)[O]1CCCC1
• 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: 20.1625 ± 0.0009 Å
• b: 13.8708 ± 0.0006 Å
• c: 17.0402 ± 0.0008 Å
• α: 90°
• β: 101.025 ± 0.005°
• γ: 90°
• Cell volume: 4677.7 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1301
• Residual factor for significantly intense reflections: 0.0922
• Weighted residual factors for significantly intense reflections: 0.2288
• Weighted residual factors for all reflections included in the refinement: 0.2667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No