Information card for entry 4088852

Structure parameters

• Formula: C25 H24 N2 O4 Os
• Calculated formula: C25 H24 N2 O4 Os
• SMILES: C(#[O])[Os](C#[O])(C#[O])(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)C#[O]
• 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: 15.8145 ± 0.0009 Å
• b: 19.413 ± 0.008 Å
• c: 7.594 ± 0.01 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2331 ± 3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0156
• Residual factor for significantly intense reflections: 0.0138
• Weighted residual factors for significantly intense reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.0329
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No