Information card for entry 7706442

Structure parameters

• Formula: C21 H37 Cl2 Ga O
• Calculated formula: C21 H37 Cl2 Ga O
• SMILES: [Ga](Cl)(Cl)([C@@]1(C(=CC(=C1)C(C)(C)C)C(C)(C)C)C(C)(C)C)[O]1CCCC1
• 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: 15.744 ± 0.002 Å
• b: 24.553 ± 0.004 Å
• c: 11.926 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4610.1 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0394
• Residual factor for significantly intense reflections: 0.0293
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0724
• 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