Information card for entry 7049326

Structure parameters

• Formula: C59 H56 Cl F6 Ir N6 O2 P
• Calculated formula: C59 H56 Cl F6 Ir N6 O2 P
• Title of publication: Rhodamine-modified fluorescent half-sandwich iridium and ruthenium complexes: potential application as bioimaging and anticancer agents.
• Authors of publication: Ma, Wenli; Guo, Lihua; Tian, Zhenzhen; Zhang, Shumiao; He, Xiangdong; Li, JuanJuan; Yang, Yuliang; Liu, Zhe
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2019
• Journal volume: 48
• Journal issue: 15
• Pages of publication: 4788 - 4793
• a: 15.159 ± 0.0014 Å
• b: 15.298 ± 0.001 Å
• c: 16.4064 ± 0.0011 Å
• α: 74.47 ± 0.006°
• β: 65.023 ± 0.008°
• γ: 77.458 ± 0.007°
• Cell volume: 3299.3 ± 0.5 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1049
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.2232
• Weighted residual factors for all reflections included in the refinement: 0.2386
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No