Information card for entry 7251678

Structure parameters

• Formula: C50 H30 F10 Ir N10 P
• Calculated formula: C50 H30 F10 Ir N10 P
• Title of publication: A solvatochromic luminescence color switchable iridium(iii) complex of a click-generated ligand for nitroaromatic explosive detection
• Authors of publication: Khatua, Snehadrinarayan; Kashyap, Nimisha; Sen, Bhaskar; Baruah, Khanindram; Rabha, Monosh; Kalita, Dip Jyoti
• Journal of publication: CrystEngComm
• Year of publication: 2026
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 2403 - 2414
• a: 11.873 ± 0.006 Å
• b: 13.411 ± 0.007 Å
• c: 16.403 ± 0.008 Å
• α: 110.382 ± 0.015°
• β: 92.879 ± 0.015°
• γ: 93.482 ± 0.017°
• Cell volume: 2437 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1157
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1412
• Weighted residual factors for all reflections included in the refinement: 0.1729
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No