Information card for entry 4088374

Structure parameters

• Formula: C27 H33 Cl3 Fe Ga N2 O3 P
• Calculated formula: C27 H33 Cl3 Fe Ga N2 O3 P
• SMILES: Cl[Ga](Cl)([Fe](C#[O])(C#[O])(C#[O])([P](C)(C)C)=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(C)cc(C)cc1C)Cl
• Title of publication: Steric Control between Neutral Metal-Only Lewis Pairs and Metal-Stabilized Gallenium and Gallinium Cations
• Authors of publication: Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 7
• Pages of publication: 1002
• a: 11.196 ± 0.003 Å
• b: 22.85 ± 0.004 Å
• c: 13.571 ± 0.002 Å
• α: 90°
• β: 102.173 ± 0.01°
• γ: 90°
• Cell volume: 3393.8 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0383
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0716
• Weighted residual factors for all reflections included in the refinement: 0.0741
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No