Information card for entry 4066847

Structure parameters

• Formula: C24 H14 N2 O9 Os3
• Calculated formula: C24 H14 N2 O9 Os3
• SMILES: C1(N(C=CN1c1ccccc1)c1ccccc1)=[Os]123(C#[O])(C#[O])[Os](C#[O])(C#[O])(C#[O])([Os]1(C#[O])(C#[O])(C#[O])C#[O])([H]2)[H]3
• Title of publication: Reactivity of [Os3(μ-H)2(CO)10] with N-Heterocyclic Carbenes: A Combined Experimental and DFT Computational Study§
• Authors of publication: Cabeza, Javier A.; del Río, Ignacio; Fernández-Colinas, José M.; Pérez-Carreño, Enrique; Sánchez-Vega, M. Gabriela; Vázquez-García, Digna
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 17
• Pages of publication: 3828
• a: 35.5574 ± 0.0005 Å
• b: 7.8812 ± 0.0001 Å
• c: 22.7345 ± 0.0003 Å
• α: 90°
• β: 109.31 ± 0.001°
• γ: 90°
• Cell volume: 6012.59 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for significantly intense reflections: 0.0977
• Weighted residual factors for all reflections included in the refinement: 0.1023
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No