Information card for entry 4082218

Structure parameters

• Formula: C93 H114 N6 O12 Os3 Pd3
• Calculated formula: C93 H114 N6 O12 Os3 Pd3
• SMILES: [Os]12345([Os]678([Os]9%101([Pd]6(C8=O)(C9=O)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)([Pd]3(C4=O)(C%10=O)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)(C#[O])C#[O])([Pd]2(C5=O)(C7=O)=C1N(CCN1c1c(C(C)C)cccc1C(C)C)c1c(C(C)C)cccc1C(C)C)(C#[O])C#[O])(C#[O])C#[O]
• 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: 16.5278 ± 0.0019 Å
• b: 12.1286 ± 0.0015 Å
• c: 46.099 ± 0.005 Å
• α: 90°
• β: 92.759 ± 0.002°
• γ: 90°
• Cell volume: 9230.3 ± 1.9 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1507
• Goodness-of-fit parameter for all reflections included in the refinement: 1.264
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No