Information card for entry 7709520

Structure parameters

• Chemical name: Ir-thia-IG
• Formula: C35 H25 Ir N4 S
• Calculated formula: C35 H25 Ir N4 S
• Title of publication: Luminescent Iridium(III) Dipyrrinato Complexes: Synthesis, X-ray Structures, DFT and Photocytotoxicity Studies of Glycosylated Derivatives
• Authors of publication: Gupta, Iti; Manav, Neha; Lone, Mohsin; Raza, Md Kausar; Chavda, Jaydeepsinh; Mori, Shigeki
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 14.5183 ± 0.0004 Å
• b: 9.2894 ± 0.0003 Å
• c: 20.2339 ± 0.0006 Å
• α: 90°
• β: 93.517 ± 0.003°
• γ: 90°
• Cell volume: 2723.73 ± 0.14 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0589
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0623
• Weighted residual factors for all reflections included in the refinement: 0.0675
• Goodness-of-fit parameter for all reflections included in the refinement: 0.976
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No