Information card for entry 4322112

Structure parameters

• Chemical name: [dicarbonyl(3[(4'-((4''-n-decyloxybenzoyl)oxy)phenoxy)carbonil]- 2,4-pentane-dionate)iridium(I)] methanol solvate
• Formula: C32 H39 Ir O10
• Calculated formula: C33 H35 Ir O9
• Title of publication: Rhodium(I) and Iridium(I) Complexes Containing β-Diketonate or Pyrazole Ligands. Liquid Crystal and Nonlinear Optical Properties
• Authors of publication: Joaquín Barberá; Anabel Elduque; Raquel Giménez; Fernando J. Lahoz; José A. López; Luis A. Oro; José Luis Serrano; Belén Villacampa; Julio Villalba
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 3085 - 3092
• a: 26.991 ± 0.006 Å
• b: 4.0093 ± 0.0008 Å
• c: 31.169 ± 0.006 Å
• α: 90°
• β: 104.95 ± 0.013°
• γ: 90°
• Cell volume: 3258.8 ± 1.2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• 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: 0.1039
• Residual factor for significantly intense reflections: 0.0583
• Weighted residual factors for significantly intense reflections: 0.132
• Weighted residual factors for all reflections included in the refinement: 0.1566
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No