Information card for entry 8107189

Structure parameters

• Chemical name: 2-(1<i>H</i>-pyrazol-3-yl-κ<i>N</i>)pyridine-κ^2^<i>N</i>-bis(2-(2,4-\ difluorophenyl)pyridinato-κ^2^<i>C</i>,<i>N</i>)iridium(III) sesquihydrate
• Formula: C30 H18 F4 Ir N5
• Calculated formula: C30 H18 F4 Ir N5
• Title of publication: Crystal structure of 2-(1H-pyrazol-3-yl-κN)pyridine-κN-bis(2-(2,4-difluorophenyl)pyridinato-κ 2 C,N)iridium(III) sesquihydrate, C30H18F4IrN5·1.5[H2O]
• Authors of publication: Abdul Latiff, Aqilah; Chong, Yan Yi; Mark-Lee, Wun Fui; Kassim, Mohammad B.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2022
• Journal volume: 237
• Journal issue: 4
• Pages of publication: 689 - 692
• a: 37.5562 ± 0.0005 Å
• b: 37.5562 ± 0.0005 Å
• c: 9.2031 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 12980.7 ± 0.4 ų
• Cell temperature: 300 ± 2 K
• Ambient diffraction temperature: 300 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0371
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.1052
• Weighted residual factors for all reflections included in the refinement: 0.1166
• Goodness-of-fit parameter for all reflections included in the refinement: 1.259
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No