Information card for entry 7715108

Structure parameters

• Formula: C38 H36 B F4 Ir N6
• Calculated formula: C38 H36 B F4 Ir N6
• SMILES: [Ir]12([n]3c4c(nc(c3c3c1cccc3)C)cc(c(c4)C)C)([n]1c(c3c2cccc3)c(nc2c1cc(c(c2)C)C)C)([N]#CC)[N]#CC.[B](F)(F)(F)[F-]
• Title of publication: Synthesis and luminescent properties of hetero-bimetallic and hetero-trimetallic Ru(II)/Au(I) or Ir(III)/Au(I) complexes.
• Authors of publication: Knighton, Richard C.; Pope, Simon J. A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2024
• Journal volume: 53
• Journal issue: 9
• Pages of publication: 4165 - 4174
• a: 8.6524 ± 0.0004 Å
• b: 12.6306 ± 0.0008 Å
• c: 16.5547 ± 0.001 Å
• α: 77.983 ± 0.006°
• β: 78.821 ± 0.005°
• γ: 85.964 ± 0.005°
• Cell volume: 1735.11 ± 0.18 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1124
• Residual factor for significantly intense reflections: 0.0751
• Weighted residual factors for significantly intense reflections: 0.1837
• Weighted residual factors for all reflections included in the refinement: 0.2048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No