Information card for entry 7126686

Structure parameters

• Formula: C62 H66 D6 Ga2 I4
• Calculated formula: C62 H66 D6 Ga2 I4
• 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: 12.2172 ± 0.0002 Å
• b: 30.7592 ± 0.0005 Å
• c: 16.4155 ± 0.0003 Å
• α: 90°
• β: 109.962 ± 0.002°
• γ: 90°
• Cell volume: 5798.18 ± 0.19 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• 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: 0.0455
• Residual factor for significantly intense reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No