Information card for entry 4336730

Structure parameters

• Formula: C38 H29 F6 Ir N7 O2 P
• Calculated formula: C38 H29 F6 Ir N7 O2 P
• Title of publication: Iridium-Based Lab-on-a-Molecule for Hg2+ and ClO- with Two Distinct Light-Up Emissions
• Authors of publication: Kun Chen; Jan W. Bats; Michael Schmittel
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 12863 - 12865
• a: 13.3214 ± 0.0012 Å
• b: 15.8998 ± 0.0015 Å
• c: 17.4795 ± 0.0016 Å
• α: 90°
• β: 103.658 ± 0.001°
• γ: 90°
• Cell volume: 3597.6 ± 0.6 ų
• Cell temperature: 181 ± 2 K
• Ambient diffraction temperature: 181 ± 2 K
• Number of distinct elements: 7
• 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: 0.0774
• Residual factor for significantly intense reflections: 0.0578
• Weighted residual factors for significantly intense reflections: 0.0917
• Weighted residual factors for all reflections included in the refinement: 0.0972
• Goodness-of-fit parameter for all reflections included in the refinement: 1.214
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No