Information card for entry 7121352

Structure parameters

• Formula: C39 H40 Ir N4 O2.5 S3
• Calculated formula: C39 H40 Ir N4 O2.5 S3
• Title of publication: A novel iridium(iii) complex for sensitive HSA phosphorescence staining in proteome research.
• Authors of publication: Wang, Yi; Huang, Huaiyi; Chen, Ge; Chen, Haijie; Xu, Tingting; Tang, Qian; Zhu, Hailiang; Zhang, Qianling; Zhang, Pingyu
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 26
• Pages of publication: 3282 - 3285
• a: 12.17572 ± 0.00019 Å
• b: 12.5686 ± 0.0002 Å
• c: 12.97302 ± 0.00016 Å
• α: 97.9685 ± 0.0012°
• β: 95.6471 ± 0.0011°
• γ: 101.103 ± 0.0014°
• Cell volume: 1913.26 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0475
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.0976
• Weighted residual factors for all reflections included in the refinement: 0.1021
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No