Information card for entry 4072082

Structure parameters

• Formula: C41 H25 Ag Cl2 N2 O20 Os6
• Calculated formula: C41 H25 Ag Cl2 N2 O20 Os6
• SMILES: c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.[Cl]1[Os]23(C#[O])([Ag]4([Os]56([Cl][Os]45(C#[O])(C#[O])(C#[O])[Os]6(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])[Os]12(C#[O])(C#[O])(C#[O])[Os]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: 14.5755 ± 0.0008 Å
• b: 21.6908 ± 0.0016 Å
• c: 17.6188 ± 0.0011 Å
• α: 90°
• β: 106.714 ± 0.003°
• γ: 90°
• Cell volume: 5334.9 ± 0.6 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1404
• Residual factor for significantly intense reflections: 0.0737
• Weighted residual factors for significantly intense reflections: 0.1721
• Weighted residual factors for all reflections included in the refinement: 0.2044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No