Information card for entry 4106948

Structure parameters

• Formula: C65 H36 Ir N O23 P2 Ru6
• Calculated formula: C65 H36 Ir N O23 P2 Ru6
• SMILES: [Ir]12345([Ru]67([Ru]1([Ru]12([Ru]3([Ru]24([Ru]56(C2=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C1=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C7=O)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O])(C#[O])C#[O].N(=P(c1ccccc1)(c1ccccc1)c1ccccc1)[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1ccccc1
• Title of publication: Two-Dimensional Bimetallic Carbonyl Cluster Complexes with New Properties and Reactivities
• Authors of publication: Richard D. Adams; Qiang Zhang; Xinzheng Yang
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 15950 - 15953
• a: 10.111 ± 0.0003 Å
• b: 17.9859 ± 0.0006 Å
• c: 21.638 ± 0.0007 Å
• α: 66.504 ± 0.001°
• β: 77.043 ± 0.001°
• γ: 85.474 ± 0.001°
• Cell volume: 3516.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0853
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.1248
• Weighted residual factors for all reflections included in the refinement: 0.1501
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No