Information card for entry 4072087

Structure parameters

• Formula: C37 H28 N2 O15 Os6
• Calculated formula: C37 H28 N2 O15 Os6
• SMILES: [Os]123([Os]456([Os]781([Os]194([Os]45([Os]81([CH2]4679)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])([H]3)(C#[O])C#[O])([H]2)(C#[O])C#[O])(=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C#[O])C#[O]
• Title of publication: NHC Complexes of Osmium Clusters: A Structural and Reactivity Study
• Authors of publication: Cooke, Craig E.; Jennings, Michael C.; Katz, Michael J.; Pomeroy, R. K.; Clyburne, Jason A. C.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 22
• Pages of publication: 5777
• a: 10.4402 ± 0.0002 Å
• b: 24.0703 ± 0.0006 Å
• c: 17.0669 ± 0.0004 Å
• α: 90°
• β: 104.113 ± 0.001°
• γ: 90°
• Cell volume: 4159.44 ± 0.16 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0645
• Residual factor for significantly intense reflections: 0.0464
• Weighted residual factors for significantly intense reflections: 0.1174
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No