Information card for entry 4072085

Structure parameters

• Formula: C32 H27 Cl N2 O11 Os4
• Calculated formula: C32 H27 Cl N2 O11 Os4
• SMILES: [Os]12([H][Os]3([Os]([Os]([H]1)([Cl]3)(C#[O])(C#[O])C#[O])([H]2)(C#[O])(C#[O])C#[O])(C#[O])(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: 24.1236 ± 0.0013 Å
• b: 11.6068 ± 0.0006 Å
• c: 31.1183 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8713.1 ± 0.8 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0874
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.201
• Weighted residual factors for all reflections included in the refinement: 0.2146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No