Information card for entry 1575848

Structure parameters

• Formula: C38 H35.5 B Cl Ir N7 O2.75
• Calculated formula: C35 H28 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: 9.6676 ± 0.0001 Å
• b: 10.6981 ± 0.0002 Å
• c: 17.9209 ± 0.0002 Å
• α: 95.107 ± 0.001°
• β: 95.382 ± 0.001°
• γ: 109.147 ± 0.001°
• Cell volume: 1729.02 ± 0.04 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0339
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for significantly intense reflections: 0.0839
• Weighted residual factors for all reflections included in the refinement: 0.0844
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No