Information card for entry 1517171

Structure parameters

• Formula: C9 H18 Cl3 Fe Ga O3 P2
• Calculated formula: C9 H18 Cl3 Fe Ga O3 P2
• SMILES: [Ga]([Fe]([P](C)(C)C)([P](C)(C)C)(C#[O])(C#[O])C#[O])(Cl)(Cl)Cl
• Title of publication: Gauging metal Lewis basicity of zerovalent iron complexes via metal-only Lewis pairs
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Hupp, Florian; Kaufmann, Christina; Phukan, Ashwini K.; Schneider, Christoph; Ye, Qing
• Journal of publication: Chemical Science
• Year of publication: 2014
• Journal volume: 5
• Journal issue: 10
• Pages of publication: 4099
• a: 17.867 ± 0.0016 Å
• b: 13.5823 ± 0.0012 Å
• c: 15.9356 ± 0.0014 Å
• α: 90°
• β: 109.018 ± 0.003°
• γ: 90°
• Cell volume: 3656.1 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0954
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No