Information card for entry 1556566

Structure parameters

• Formula: C38 H23 F4 Ir N8 O
• Calculated formula: C38 H23 F4 Ir N8 O
• SMILES: [Ir]123([n]4c(c5c2cc(F)cc5F)cccc4)([n]2c(c4c3cc(F)cc4F)cccc2)[n]2cc[nH]c2c2n1c1c(n2)c2cccnc2c2ncccc12.O
• Title of publication: Single-molecule MicroRNA Electrochemiluminescence Detection Using Cyclometalated Dinuclear Ir(III) Complex with Synergistic Effect.
• Authors of publication: Gao, Tai-Bao; Zhang, Jing-JIng; Wen, Jing; Yang, Xue-Xiao; Ma, Haibo; Cao, Deng-Ke; Jiang, Dechen
• Journal of publication: Analytical chemistry
• Year of publication: 2019
• a: 10.273 ± 0.002 Å
• b: 10.772 ± 0.002 Å
• c: 29.566 ± 0.006 Å
• α: 90°
• β: 96.413 ± 0.007°
• γ: 90°
• Cell volume: 3251.3 ± 1.1 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0964
• Residual factor for significantly intense reflections: 0.0599
• Weighted residual factors for significantly intense reflections: 0.1314
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No