Information card for entry 4064047

Structure parameters

• Formula: C52 H56 B O3 Os P
• Calculated formula: C52 H56 B O3 Os P
• SMILES: [Os]12345(C#[O])(Cc6ccccc6)([c]6([cH]5[cH]4[c]3([cH]2[cH]16)C)C(C)C)[P](OCC)(OCC)c1ccccc1.[B-](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Preparation of Half-Sandwich Alkoxycarbene Complexes of Osmium(II)
• Authors of publication: Albertin, Gabriele; Antoniutti, Stefano; Castro, Jesús
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 6
• Pages of publication: 1558
• a: 13.5866 ± 0.001 Å
• b: 13.5816 ± 0.0011 Å
• c: 24.7454 ± 0.0018 Å
• α: 90°
• β: 94.385 ± 0.002°
• γ: 90°
• Cell volume: 4552.8 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0818
• Residual factor for significantly intense reflections: 0.0375
• Weighted residual factors for significantly intense reflections: 0.0817
• Weighted residual factors for all reflections included in the refinement: 0.1074
• Goodness-of-fit parameter for all reflections included in the refinement: 1.008
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No