Information card for entry 4516972

Structure parameters

• Formula: C33 H27 Ir N2 O6
• Calculated formula: C33 H27 Ir N2 O6
• SMILES: c12c3ccc(OC(=O)C=C)c[n]3[Ir]34(c1cccc2)([O]=C(C=C(C)O4)C)c1c(c2ccc(OC(=O)C=C)c[n]32)cccc1
• Title of publication: Photoluminescence and Electrochemiluminescence Dual-Signaling Sensors for Selective Detection of Cysteine Based on Iridium(III) Complexes.
• Authors of publication: Kim, Taemin; Hong, Jong-In
• Journal of publication: ACS omega
• Year of publication: 2019
• Journal volume: 4
• Journal issue: 7
• Pages of publication: 12616 - 12625
• a: 11.88223 ± 0.00007 Å
• b: 15.04355 ± 0.0001 Å
• c: 15.39444 ± 0.00008 Å
• α: 90°
• β: 90.6397 ± 0.0005°
• γ: 90°
• Cell volume: 2751.6 ± 0.03 ų
• Cell temperature: 99.9 ± 0.9 K
• Ambient diffraction temperature: 99.9 ± 0.9 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0153
• Residual factor for significantly intense reflections: 0.015
• Weighted residual factors for significantly intense reflections: 0.0384
• Weighted residual factors for all reflections included in the refinement: 0.0385
• Goodness-of-fit parameter for all reflections included in the refinement: 1.089
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No