Information card for entry 4086291

Structure parameters

• Formula: C43 H34 Cl F4 Ir N4
• Calculated formula: C43 H34 Cl F4 Ir N4
• SMILES: [Ir]12(Cl)([NH2]CCNC(c3ccccc3)(c3ccccc3)c3ccccc3)(c3cc(F)cc(F)c3c3[n]1cccc3)c1cc(F)cc(F)c1c1[n]2cccc1
• Title of publication: Highly Selective Detection of H+and OH‒with a Single-Emissive Iridium(III) Complex: A Mild Approach to Conversion of Non-AIEE to AIEE Complex
• Authors of publication: Alam, Parvej; Kaur, Gurpreet; Sarmah, Amrit; Roy, Ram Kinkar; Choudhury, Angshuman Roy; Laskar, Inamur Rahaman
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 18
• Pages of publication: 4480
• a: 11.2477 ± 0.0014 Å
• b: 11.5288 ± 0.0018 Å
• c: 16.682 ± 0.002 Å
• α: 103.532 ± 0.007°
• β: 93.738 ± 0.007°
• γ: 94.584 ± 0.006°
• Cell volume: 2088.5 ± 0.5 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0744
• Residual factor for significantly intense reflections: 0.0685
• Weighted residual factors for significantly intense reflections: 0.1857
• Weighted residual factors for all reflections included in the refinement: 0.1958
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No