Information card for entry 1547171

Structure parameters

• Formula: C21 H11 N O11 Os3 S
• Calculated formula: C21 H11 N O11 Os3 S
• SMILES: [Os]12([Os]34([Os]([n]5c6c4cccc6sc5)(C#[O])(C#[O])(C#[O])C3(C(=[O]2)OCC)C1)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Alkyne activation and polyhedral reorganization in benzothiazolate-capped osmium clusters on reaction with diethyl acetylenedicarboxylate (DEAD) and ethyl propiolate
• Authors of publication: Mahid Uddin, Kh.; Chowdhury, Md. Arshad H.; Kamal Hossain, Md.; Ghosh, Shishir; Tocher, Derek A.; Richmond, Michael G.; Kabir, Shariff E.
• Journal of publication: Dalton Trans.
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 39
• Pages of publication: 13597 - 13609
• a: 10.2041 ± 0.0008 Å
• b: 10.8173 ± 0.0008 Å
• c: 11.4433 ± 0.0009 Å
• α: 76.534 ± 0.001°
• β: 80.93 ± 0.001°
• γ: 81.651 ± 0.001°
• Cell volume: 1205.27 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0282
• Residual factor for significantly intense reflections: 0.026
• Weighted residual factors for significantly intense reflections: 0.0584
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No