Information card for entry 4073462

Structure parameters

• Formula: C61 H86 Ga Ir N4
• Calculated formula: C61 H86 Ga Ir N4
• SMILES: [Ir]123([Ga]4N(C=CN4c4c(cccc4C(C)C)C(C)C)c4c(cccc4C(C)C)C(C)C)(=C4N(C=CN4c4c(cc(cc4C)C)C)c4c(cc(cc4C)C)C)[CH]4=[CH]1CC[CH]2=[CH]3CC4.CCCCCC
• Title of publication: Group 9 and 11 Metal(I) Gallyl Complexes Stabilized by N-Heterocyclic Carbene Coordination: First Structural Characterization of Ga-M (M = Cu or Ag) Bonds
• Authors of publication: Green, Shaun P.; Jones, Cameron; Mills, David P.; Stasch, Andreas
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 14
• Pages of publication: 3424
• a: 12.472 ± 0.003 Å
• b: 22.889 ± 0.005 Å
• c: 20.442 ± 0.004 Å
• α: 90°
• β: 107.03 ± 0.03°
• γ: 90°
• Cell volume: 5580 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0315
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0566
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No