Information card for entry 7034376

Structure parameters

• Formula: C50 H40 Cl F6 Ir N2 O4 P2
• Calculated formula: C50 H40 Cl F6 Ir N2 O4 P2
• 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: 10.6693 ± 0.0006 Å
• b: 34.625 ± 0.0019 Å
• c: 12.5781 ± 0.0007 Å
• α: 90°
• β: 102.98 ± 0.004°
• γ: 90°
• Cell volume: 4527.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0887
• Weighted residual factors for all reflections included in the refinement: 0.1
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No