Information card for entry 7034908

Structure parameters

• Formula: C59 H31 B F15 Ir N3 P
• Calculated formula: C59 H31 B F15 Ir N3 P
• SMILES: [Ir]12([P](c3ccccc3)(c3ccccc3)c3ccccc3)([n]3ccccc3c3ccccc13)([n]1ccccc1c1ccccc21)C#[N][B](c1c(F)c(F)c(F)c(F)c1F)(c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F
• Title of publication: Synthesis, characterization, photophysics and electrochemical study of luminescent iridium(iii) complexes with isocyanoborate ligands.
• Authors of publication: Chan, Kin-Cheung; Chu, Wing-Kin; Yiu, Shek-Man; Ko, Chi-Chiu
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 34
• Pages of publication: 15135 - 15144
• a: 23.3783 ± 0.0004 Å
• b: 10.11539 ± 0.00014 Å
• c: 23.8296 ± 0.0004 Å
• α: 90°
• β: 117.13 ± 0.002°
• γ: 90°
• Cell volume: 5015.22 ± 0.17 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0325
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0822
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No