Information card for entry 4076704

Structure parameters

• Formula: C44 H30 O8 Os3 P Sb
• Calculated formula: C44 H30 O8 Os3 P Sb
• SMILES: [Os]12([H][Os]3([C]4(=[C]23C=CC=C4)[Os]([Sb]1(c1ccccc1)c1ccccc1)(C#[O])(C#[O])C#[O])([P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Nucleophilic Addition Reactions of the Osmium−Antimony Cluster (μ-H)Os3(CO)9(μ3-C6H4)(μ-SbPh2): Orthometalation of Triphenylphosphine at Ambient Temperature
• Authors of publication: Chen, Guizhu; Deng, Mingli; Lee, Chee Keong; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2002
• Journal volume: 21
• Journal issue: 6
• Pages of publication: 1227
• a: 9.7194 ± 0.0002 Å
• b: 10.7339 ± 0.0003 Å
• c: 40.2425 ± 0.001 Å
• α: 90°
• β: 95.578 ± 0.001°
• γ: 90°
• Cell volume: 4178.5 ± 0.18 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: 0.0628
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0936
• Goodness-of-fit parameter for all reflections included in the refinement: 1.251
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No