Information card for entry 7011513

Structure parameters

• Common name: HOs3(CO)10(C13H9O)
• Formula: C23 H10 O11 Os3
• Calculated formula: C23 H10 O11 Os3
• SMILES: C(#[O])[Os]1234(C#[O])(C#[O])[C]56C=CO[C]15=[C]2(/C=C/c1ccccc1)[Os]4(C#[O])(C#[O])(C#[O])([H]3)[Os]6(C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Unusual C‒H bond activation—aldol condensation of aromatic aldehydes with the methyl group of a carbene-like triosmium cluster
• Authors of publication: Sergey P. Tunik; Irina A. Balova; Maxim E. Borovitov; Ebbe Nordlander; Matti Haukka; Tapani A. Pakkanen
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 6
• Pages of publication: 827 - 828
• a: 9.5216 ± 0.0001 Å
• b: 9.6642 ± 0.0001 Å
• c: 13.9842 ± 0.0002 Å
• α: 97.8138 ± 0.0006°
• β: 91.086 ± 0.0007°
• γ: 96.8966 ± 0.0008°
• Cell volume: 1264.82 ± 0.03 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.0225
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0556
• Goodness-of-fit parameter for all reflections included in the refinement: 1.141
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No