Information card for entry 4114781

Structure parameters

• Formula: C21 H15 Ir3 Mo O11
• Calculated formula: C21 H15 Ir3 Mo O11
• SMILES: [Ir]1234([Ir]56([Ir]1([Mo]178925(C4=O)(C6=O)(C#[O])[c]2([c]1([c]7([c]8([c]92C)C)C)C)C)(C#[O])(C#[O])C#[O])(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: 8.523 ± 0.004 Å
• b: 19.434 ± 0.003 Å
• c: 15.469 ± 0.003 Å
• α: 90°
• β: 91.84 ± 0.02°
• γ: 90°
• Cell volume: 2560.9 ± 1.4 ų
• Cell temperature: 296.2 K
• Ambient diffraction temperature: 296.2 K
• Number of distinct elements: 5
• 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: 0.0757
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for all reflections: 0.0541
• Weighted residual factors for all reflections included in the refinement: 0.0513
• Goodness-of-fit parameter for all reflections: 1.901
• Goodness-of-fit parameter for all reflections included in the refinement: 2.169
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No