Information card for entry 7706438

Structure parameters

• Formula: C17 H29 Ga2 I3
• Calculated formula: C17 H29 Ga2 I3
• SMILES: I[Ga](I)(I)[Ga]1234[c]5([c]1([cH]2[c]3([cH]45)C(C)(C)C)C(C)(C)C)C(C)(C)C
• Title of publication: Pentamethyl- and 1,2,4-tri(tert-butyl)cyclopentadienyl containing p-block complexes - differences and similarities.
• Authors of publication: Ding, Yi; Ruth, Paul Niklas; Herbst-Irmer, Regine; Stalke, Dietmar; Yang, Zhi; Roesky, Herbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 6
• Pages of publication: 2067 - 2074
• a: 10.845 ± 0.002 Å
• b: 11.25 ± 0.003 Å
• c: 11.306 ± 0.003 Å
• α: 82.69 ± 0.02°
• β: 61.37 ± 0.02°
• γ: 74.03 ± 0.03°
• Cell volume: 1164 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0281
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0561
• Weighted residual factors for all reflections included in the refinement: 0.0581
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No