Information card for entry 4072081

Structure parameters

• Formula: C31 H24 Ag Cl N2 O10 Os3
• Calculated formula: C31 H24 Ag Cl N2 O10 Os3
• SMILES: [Os]123([Os]([Os]1(C#[O])(C#[O])(C#[O])C#[O])([Ag]2=C1N(C=CN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)([Cl]3)(C#[O])(C#[O])C#[O])(C#[O])(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: 8.1388 ± 0.0006 Å
• b: 12.5307 ± 0.0009 Å
• c: 18.048 ± 0.001 Å
• α: 93.746 ± 0.004°
• β: 97.217 ± 0.004°
• γ: 97.567 ± 0.003°
• Cell volume: 1803.9 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1152
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.0996
• Weighted residual factors for all reflections included in the refinement: 0.1181
• Goodness-of-fit parameter for all reflections included in the refinement: 0.943
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No