Information card for entry 4072090

Structure parameters

• Formula: C38.5 H29 Cl N2 O10 Os4
• Calculated formula: C38.5 H29 Cl N2 O10 Os4
• SMILES: [Os]12345([Os]6789([Os]1([Os]26([H]3)(C#[O])(C#[O])(C#[O])[c]19[c]8(C57c2c(N3C=4N(C=C3)c3c(cc(cc3C)C)C)c(cc(c2)C)C)cc(cc1)C)(C#[O])(C#[O])C#[O])(C#[O])C#[O])(C#[O])C#[O].C(Cl)Cl
• 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: 12.3075 ± 0.0005 Å
• b: 12.7131 ± 0.0007 Å
• c: 15.1134 ± 0.0007 Å
• α: 73.738 ± 0.002°
• β: 86.774 ± 0.003°
• γ: 62.89 ± 0.002°
• Cell volume: 2013.66 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.1047
• Weighted residual factors for all reflections included in the refinement: 0.1147
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No