Information card for entry 4088376

Structure parameters

• Formula: C26 H26 Cl5 Fe Ga N2 O4
• Calculated formula: C26 H26 Cl5 Fe Ga N2 O4
• SMILES: [Ga](Cl)([Fe](C#[O])(C#[O])(C#[O])(C#[O])=C1N(c2c(cc(cc2C)C)C)C=CN1c1c(cc(cc1C)C)C)(Cl)Cl.ClCCl
• 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: 10.7556 ± 0.0018 Å
• b: 21.11 ± 0.003 Å
• c: 14.383 ± 0.004 Å
• α: 90°
• β: 107.649 ± 0.012°
• γ: 90°
• Cell volume: 3112 ± 1.1 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0367
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0749
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No