Information card for entry 7704999

Structure parameters

• Chemical name: 8c
• Formula: C37 H32 B Cl Ir N5 O4
• Calculated formula: C37 H32 B Cl Ir N5 O4
• 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: 9.6334 ± 0.0001 Å
• b: 14.1556 ± 0.0001 Å
• c: 15.3064 ± 0.0001 Å
• α: 73.099 ± 0.001°
• β: 77.242 ± 0.001°
• γ: 77.046 ± 0.001°
• Cell volume: 1918.99 ± 0.03 ų
• Cell temperature: 149.99 ± 0.1 K
• Ambient diffraction temperature: 149.99 ± 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: 0.0197
• Residual factor for significantly intense reflections: 0.0196
• Weighted residual factors for significantly intense reflections: 0.0491
• Weighted residual factors for all reflections included in the refinement: 0.0492
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No