Information card for entry 4088375

Structure parameters

• Formula: C39 H45 Cl3 Fe Ga N2 O3 P
• Calculated formula: C39 H45 Cl3 Fe Ga N2 O3 P
• SMILES: [Ga]([Fe]([P](C)(C)C)(C#[O])(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(Cl)(Cl)Cl.c1ccccc1.c1ccccc1
• 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: 9.826 ± 0.002 Å
• b: 17.838 ± 0.008 Å
• c: 22.715 ± 0.008 Å
• α: 90°
• β: 101.19 ± 0.02°
• γ: 90°
• Cell volume: 3906 ± 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0724
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1328
• Weighted residual factors for all reflections included in the refinement: 0.1416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No