Information card for entry 4088371

Structure parameters

• Formula: C55 H92 Fe2 O5 P4
• Calculated formula: C55 H92 Fe2 O5 P4
• SMILES: [Fe]123([P](C[P]([Fe]2(C1=O)([P](C[P]3(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])C#[O])(C1CCCCC1)C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])C#[O]
• 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: 10.9 ± 0.004 Å
• b: 12.12 ± 0.004 Å
• c: 21.564 ± 0.007 Å
• α: 82.724 ± 0.014°
• β: 76.397 ± 0.012°
• γ: 85.928 ± 0.016°
• Cell volume: 2744.1 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0553
• Residual factor for significantly intense reflections: 0.0355
• Weighted residual factors for significantly intense reflections: 0.0825
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 1.007
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No