Information card for entry 4305394

Structure parameters

• Formula: C38 H36 Cl4 Ir N P2
• Calculated formula: C38 H36 Cl4 Ir N P2
• SMILES: [IrH]1(Cl)([n]2ccccc2c2ccccc12)([P](C)(c1ccccc1)c1ccccc1)[P](C)(c1ccccc1)c1ccccc1.C(Cl)(Cl)Cl
• Title of publication: Ligand Effects on Luminescence of New Type Blue Light-Emitting Mono(2-phenylpyridinato)iridium(III) Complexes
• Authors of publication: Min-Sik Eum; Chong Shik Chin; Song yi Kim; Choongil Kim; Sung Kwon Kang; Nam Hwi Hur; Ji Hoon Seo; Gu Young Kim; Young Kwan Kim
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6289 - 6295
• a: 13.4805 ± 0.0002 Å
• b: 18.7541 ± 0.0003 Å
• c: 14.7961 ± 0.0002 Å
• α: 90°
• β: 103.079 ± 0.001°
• γ: 90°
• Cell volume: 3643.63 ± 0.09 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0432
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0513
• Weighted residual factors for all reflections included in the refinement: 0.0557
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No