Information card for entry 7034377

Structure parameters

• Formula: C46 H39 B Cl F4 Ir N2 P2
• Calculated formula: C46 H39 B Cl F4 Ir N2 P2
• SMILES: [IrH]1(Cl)([P](c2ccccc2)(c2ccccc2)c2ccccc2)([P](c2ccccc2)(c2ccccc2)c2ccccc2)[n]2ccccc2c2[nH+]cccc12.[B](F)(F)(F)[F-]
• Title of publication: "Aggregation induced phosphorescence" active "rollover" iridium(iii) complex as a multi-stimuli-responsive luminescence material.
• Authors of publication: Alam, Parvej; Kaur, Gurpreet; Chakraborty, Shamik; Roy Choudhury, Angshuman; Laskar, Inamur Rahaman
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 14
• Pages of publication: 6581 - 6592
• a: 9.919 ± 0.002 Å
• b: 13.38 ± 0.003 Å
• c: 16.79 ± 0.003 Å
• α: 76.14 ± 0.008°
• β: 73.984 ± 0.008°
• γ: 87.58 ± 0.008°
• Cell volume: 2078.8 ± 0.7 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0299
• Residual factor for significantly intense reflections: 0.0248
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0561
• Goodness-of-fit parameter for all reflections included in the refinement: 1.051
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No