Information card for entry 7248232

Structure parameters

• Formula: C44 H44 B F4 Ir N4 O5
• Calculated formula: C44 H44 B F4 Ir N4 O5
• Title of publication: Alkyl chain functionalised Ir(iii) complexes: synthesis, properties and behaviour as emissive dopants in microemulsions
• Authors of publication: Stokes, Emily C.; Shoetan, Ibrahim O.; Gillman, Alice M.; Horton, Peter N.; Coles, Simon J.; Woodbury, Simon E.; Fallis, Ian A.; Pope, Simon J. A.
• Journal of publication: RSC Advances
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 6987 - 6997
• a: 8.7992 ± 0.0002 Å
• b: 16.6146 ± 0.0004 Å
• c: 16.7086 ± 0.0004 Å
• α: 119.195 ± 0.002°
• β: 91.698 ± 0.002°
• γ: 102.782 ± 0.002°
• Cell volume: 2052.24 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0312
• Residual factor for significantly intense reflections: 0.0264
• Weighted residual factors for significantly intense reflections: 0.0658
• Weighted residual factors for all reflections included in the refinement: 0.0674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.073
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~3~
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No