Information card for entry 4088855

Structure parameters

• Formula: C31 H29 Cl3 F Ga N2 O4 Os
• Calculated formula: C31 H29 Cl3 F Ga N2 O4 Os
• SMILES: [Os]([Ga](Cl)(Cl)Cl)(C#[O])(C#[O])(C#[O])(C#[O])=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.Fc1ccccc1
• Title of publication: Metal-Only Lewis Pairs Based on Zerovalent Osmium
• Authors of publication: Bissert, Robin; Braunschweig, Holger; Dewhurst, Rian D.; Schneider, Christoph
• Journal of publication: Organometallics
• Year of publication: 2016
• Journal volume: 35
• Journal issue: 15
• Pages of publication: 2567
• a: 11.011 ± 0.009 Å
• b: 22.861 ± 0.013 Å
• c: 13.858 ± 0.012 Å
• α: 90°
• β: 107.62 ± 0.03°
• γ: 90°
• Cell volume: 3325 ± 4 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: 0.0497
• Residual factor for significantly intense reflections: 0.0344
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0884
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No