Information card for entry 4114783

Structure parameters

• Formula: C19 H16 Ir3 O10 P W
• Calculated formula: C19 H16 Ir3 O10 P W
• SMILES: [Ir]1234([Ir]56([Ir]1([W]178925(C6=O)(C4=O)(C#[O])[c]2([cH]9[cH]8[cH]7[cH]12)C)(C#[O])(C#[O])C#[O])(C3=O)(C#[O])C#[O])([P](C)(C)C)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: 9.2819 ± 0.0001 Å
• b: 9.6886 ± 0.0001 Å
• c: 14.9537 ± 0.0002 Å
• α: 81.7838 ± 0.0005°
• β: 72.8327 ± 0.0005°
• γ: 68.1183 ± 0.0008°
• Cell volume: 1191.46 ± 0.02 ų
• Cell temperature: 473.2 K
• Ambient diffraction temperature: 200 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: 0.0551
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for all reflections: 0.0595
• Weighted residual factors for all reflections included in the refinement: 0.057
• Goodness-of-fit parameter for all reflections: 1.367
• Goodness-of-fit parameter for all reflections included in the refinement: 1.41
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No