Information card for entry 8105969

Structure parameters

• Chemical name: Bis(2-<i>p<i>-tolyl-benzothiazolato-N,C^2^)Iridium(III)(N,N'- diethyldithiocarbamate)
• Formula: C33 H30 Ir N3 S4
• Calculated formula: C33 H30 Ir N3 S4
• Title of publication: The synthesis and crystal structure of bis(2-(benzo[d]thiazol-2-yl)-5-methylbenzen-1-ido-κ2C,N)-(N,N′-diethyldithiocarbamato-κ2S,S′)iridium(III), C33H30N3S4Ir
• Authors of publication: Chen, Lianqing; Wu, Zhongda; Yang, Jing; Zhang, Shijuan
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 234
• Journal issue: 6
• Pages of publication: 1173 - 1176
• a: 11.6429 ± 0.001 Å
• b: 10.9111 ± 0.001 Å
• c: 24.234 ± 0.002 Å
• α: 90°
• β: 93.289 ± 0.001°
• γ: 90°
• Cell volume: 3073.5 ± 0.5 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0244
• Residual factor for significantly intense reflections: 0.0198
• Weighted residual factors for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections included in the refinement: 0.0507
• 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: No
• Has Fobs: No