Information card for entry 1575850

Structure parameters

• Formula: C27 H24 B Cl Ir N7 O2
• Calculated formula: C27 H24 B Cl Ir N7 O2
• Title of publication: Luminescent iridium(III) complexes bearing boronic acid groups: potential sensors for carbohydrates.
• Authors of publication: Rahman, Rahad; Quazi, Nurul H.; White, Keith F.; Saker Neto, Nicolau; Hong, Yuning; Maeder, Marcel; Wilson, David J. D.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 41
• Pages of publication: 15609 - 15622
• a: 20.8761 ± 0.0001 Å
• b: 20.8761 ± 0.0001 Å
• c: 12.9304 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5635.22 ± 0.14 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 0.1 K
• Number of distinct elements: 7
• Space group number: 122
• Hermann-Mauguin space group symbol: I -4 2 d
• Hall space group symbol: I -4 2bw
• Residual factor for all reflections: 0.0399
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0762
• Weighted residual factors for all reflections included in the refinement: 0.0773
• Goodness-of-fit parameter for all reflections included in the refinement: 1.28
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No