Information card for entry 4076672

Structure parameters

• Formula: C44 H30 O14 Os5 Sb2
• Calculated formula: C44 H30 O14 Os5 Sb2
• SMILES: [Os]123([Os]456([H][Os]6([Sb]2(c2ccccc2)c2ccccc2)(C#[O])(C#[O])(C#[O])[C]25=[C]34C=CC=C2)([Sb]21[Os]13([Os]2([C]1(=[CH]3C(C)(C)C)c1ccccc1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Reactions of the Triosmium−Antimony Cluster Os3(μ-SbPh2)(μ-H)(μ3,η2-C6H4)(CO)9with Alkynes: C−C Bond Coupling to a Cluster-Bound Phenylene and Catalytic Alkyne Cyclotrimerization
• Authors of publication: Deng, Mingli; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1221
• a: 33.7108 ± 0.0012 Å
• b: 13.9251 ± 0.0005 Å
• c: 21.0185 ± 0.0007 Å
• α: 90°
• β: 95.791 ± 0.001°
• γ: 90°
• Cell volume: 9816.3 ± 0.6 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.0658
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0634
• Weighted residual factors for all reflections included in the refinement: 0.0685
• Goodness-of-fit parameter for all reflections included in the refinement: 0.79
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No