Information card for entry 4114782

Structure parameters

• Formula: C30 H30 Ir2 Mo2 O10
• Calculated formula: C30 H30 Ir2 Mo2 O10
• SMILES: [Ir]1234([Ir]56([Mo]789%101([Mo]1%11%12%1325(C#[O])(C#[O])[c]2([c]1([c]%11([c]%12([c]%132C)C)C)C)C)(C4=O)(C6=O)(C#[O])[c]1([c]7([c]8([c]9([c]%101C)C)C)C)C)(C3=O)(C#[O])C#[O])(C#[O])C#[O]
• Title of publication: Mixed-Metal Cluster Chemistry. 19. Crystallographic, Spectroscopic, Electrochemical, Spectroelectrochemical, and Theoretical Studies of Systematically Varied Tetrahedral Group 6-Iridium Clusters
• Authors of publication: Nigel T. Lucas; Jonathan P. Blitz; Simon Petrie; Robert Stranger; Mark G. Humphrey; Graham A. Heath; Vincent Otieno-Alego
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 5139 - 5153
• a: 16.332 ± 0.002 Å
• b: 16.332 Å
• c: 24.696 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6587.3 ± 1.6 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0494
• Residual factor for significantly intense reflections: 0.0332
• Weighted residual factors for all reflections: 0.0358
• Weighted residual factors for all reflections included in the refinement: 0.0341
• Goodness-of-fit parameter for all reflections: 1.519
• Goodness-of-fit parameter for all reflections included in the refinement: 1.594
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No