Information card for entry 4072088

Structure parameters

• Formula: C32 H28 N2 O11 Os4
• Calculated formula: C32 H28 N2 O11 Os4
• SMILES: [Os]45([H][Os]6([H][Os]([Os]6([H]5)(C#[O])(C#[O])C#[O])([H]4)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(c1n(c[n+](c1)c1c(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: 14.0262 ± 0.0005 Å
• b: 15.9043 ± 0.0006 Å
• c: 16.2287 ± 0.0006 Å
• α: 96.672 ± 0.002°
• β: 96.046 ± 0.002°
• γ: 90.049 ± 0.002°
• Cell volume: 3575.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0672
• Weighted residual factors for significantly intense reflections: 0.1781
• Weighted residual factors for all reflections included in the refinement: 0.1878
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No