Information card for entry 4082214

Structure parameters

• Formula: C45 H52 N2 O12 Os3 Pd
• Calculated formula: C45 H52 N2 O12 Os3 Pd
• SMILES: [Os]1([Os]23([Os]41([Pd]2(C3=O)(C4=O)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])(C#[O])C#[O].CCCCCC
• Title of publication: Palladium‒Osmium Heterometallic Clusters Containing N-Heterocyclic Carbene Ligands
• Authors of publication: Liu, Yu; Ganguly, Rakesh; Huynh, Han Vinh; Leong, Weng Kee
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 24
• Pages of publication: 7559
• a: 12.1588 ± 0.001 Å
• b: 12.6035 ± 0.001 Å
• c: 18.1256 ± 0.0013 Å
• α: 96.546 ± 0.002°
• β: 107.72 ± 0.002°
• γ: 109.278 ± 0.002°
• Cell volume: 2425.4 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 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: 0.0341
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.0687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.071
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No