Information card for entry 4327079

Structure parameters

• Common name: 08160
• Formula: C23 H26 F3 Ir N6 O4 S
• Calculated formula: C23 H26 F3 Ir N6 O4 S
• SMILES: [Ir]12([n]3c(c4c1cccc4)cccc3)([n]1c(c3c2cccc3)cccc1)([NH2]N)[NH2]N.S(=O)(=O)([O-])C(F)(F)F.O
• Title of publication: Optical Response of a Cyclometalated Iridium(III) Hydrazino Complex to Carbon Dioxide: Generation of a Strongly Luminescent Iridium(III) Carbazate
• Authors of publication: Kyle R. Schwartz; Kent R. Mann
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 12477 - 12485
• a: 15.024 ± 0.003 Å
• b: 9.717 ± 0.0019 Å
• c: 18.813 ± 0.004 Å
• α: 90°
• β: 109.883 ± 0.003°
• γ: 90°
• Cell volume: 2582.8 ± 0.9 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.0683
• Residual factor for significantly intense reflections: 0.0412
• Weighted residual factors for significantly intense reflections: 0.1013
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No