Information card for entry 7700131

Structure parameters

• Formula: C16 H21 I2 N5
• Calculated formula: C16 H21 I2 N5
• Title of publication: Luminescent iridium(iii) complexes of N-heterocyclic carbene ligands prepared using the 'click reaction'.
• Authors of publication: Karmis, Rebecca E.; Carrara, Serena; Baxter, Amy A.; Hogan, Conor F.; Hulett, Mark D.; Barnard, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 27
• Pages of publication: 9998 - 10010
• a: 11.1054 ± 0.0005 Å
• b: 11.9823 ± 0.0009 Å
• c: 15.3663 ± 0.0009 Å
• α: 99.443 ± 0.005°
• β: 92.342 ± 0.004°
• γ: 101.879 ± 0.005°
• Cell volume: 1968 ± 0.2 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0308
• Residual factor for significantly intense reflections: 0.0245
• Weighted residual factors for significantly intense reflections: 0.0539
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No