Information card for entry 4088379

Structure parameters

• Formula: C53 H81 Cl6 Fe Ga2 O3 P2
• Calculated formula: C53 H81 Cl6 Fe Ga2 O3 P2
• SMILES: [Ga](Cl)([Fe](C#[O])([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)(C#[O])([P](C1CCCCC1)(C1CCCCC1)C1CCCCC1)C#[O])Cl.[Ga](Cl)(Cl)(Cl)[Cl-].c1(ccccc1)C.c1(ccccc1)C
• 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: 11.684 ± 0.002 Å
• b: 15.787 ± 0.003 Å
• c: 16.292 ± 0.003 Å
• α: 101.106 ± 0.008°
• β: 95.429 ± 0.008°
• γ: 96.512 ± 0.009°
• Cell volume: 2908.9 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0322
• Weighted residual factors for significantly intense reflections: 0.0729
• Weighted residual factors for all reflections included in the refinement: 0.0784
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No