Information card for entry 4077762

Structure parameters

• Formula: C32 H38 Ir2 N4 O2
• Calculated formula: C32 H38 Ir2 N4 O2
• SMILES: [Ir]1234(Oc5[n](c(cc(c5C#N)C)C)[Ir]567(Oc8[n]1c(cc(c8C#N)C)C)[CH]1=[CH]6CC[CH]7=[CH]5CC1)[CH]1=[CH]2CC[CH]3=[CH]4CC1
• Title of publication: Rhodium and Iridium Hydroxide Complexes [M(μ-OH)(COD)]2(M = Rh, Ir) as Versatile Precursors of Homo and Early−Late Heterobimetallic Compounds. X-ray Crystal Structures of Cp*Ta(μ3-O)4[Rh(COD)]4(Cp* = η5-C5Me5) and [Ir(2-O-3-CN-4,6-Me2-C5HN)(COD)]2
• Authors of publication: Fandos, Rosa; Hernández, Carolina; Otero, Antonio; Rodríguez, Ana; Ruiz, Maria José; García Fierro, José Luis; Terreros, Pilar
• Journal of publication: Organometallics
• Year of publication: 1999
• Journal volume: 18
• Journal issue: 14
• Pages of publication: 2718
• a: 10.561 ± 0.004 Å
• b: 10.988 ± 0.003 Å
• c: 15.45 ± 0.01 Å
• α: 80.76 ± 0.05°
• β: 70.11 ± 0.04°
• γ: 61.37 ± 0.02°
• Cell volume: 1479.8 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0663
• Residual factor for significantly intense reflections: 0.0417
• Weighted residual factors for significantly intense reflections: 0.0962
• Weighted residual factors for all reflections included in the refinement: 0.1221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No