Information card for entry 7704998

Structure parameters

• Chemical name: 8a
• Formula: C38 H34 B Cl Ir N7 O3
• Calculated formula: C38 H34 B Cl Ir N7 O3
• Title of publication: Luminescent iridium(iii)-boronic acid complexes for carbohydrate sensing.
• Authors of publication: Hashemzadeh, Tahmineh; Haghighatbin, Mohammad A.; Agugiaro, Johnny; Wilson, David J. D.; Hogan, Conor F.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 32
• Pages of publication: 11361 - 11374
• a: 23.9525 ± 0.0004 Å
• b: 17.7651 ± 0.0003 Å
• c: 8.47345 ± 0.00016 Å
• α: 90°
• β: 98.7316 ± 0.0019°
• γ: 90°
• Cell volume: 3563.82 ± 0.11 ų
• Cell temperature: 116 ± 20 K
• Ambient diffraction temperature: 116 ± 20 K
• Number of distinct elements: 7
• 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: 0.0418
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0937
• Goodness-of-fit parameter for all reflections included in the refinement: 1.042
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No