Information card for entry 4088377

Structure parameters

• Formula: C70 H104.5 Cl6 F2.5 Fe2 Ga2 O5 P4
• Calculated formula: C70 H104.5 Cl6 F2.5 Fe2 Ga2 O5 P4
• SMILES: [O]#C[Fe]1234([P](C5CCCCC5)(C5CCCCC5)C[P]([Fe]2([Ga]1(Cl)Cl)(C3=O)([P](C1CCCCC1)(C1CCCCC1)C[P]4(C1CCCCC1)C1CCCCC1)(C#[O])C#[O])(C1CCCCC1)C1CCCCC1)C#[O].[Ga](Cl)(Cl)(Cl)[Cl-].Fc1ccccc1.Fc1ccccc1.Fc1ccccc1
• 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: 16.566 ± 0.003 Å
• b: 18.049 ± 0.003 Å
• c: 28.34 ± 0.005 Å
• α: 93.576 ± 0.007°
• β: 102.578 ± 0.007°
• γ: 100.08 ± 0.007°
• Cell volume: 8098 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.0913
• Weighted residual factors for all reflections included in the refinement: 0.0971
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No