Information card for entry 7017676

Structure parameters

• Formula: C52 H48 Ir2 K2 N8 O4
• Calculated formula: C52 H48 Ir2 K2 N8 O4
• SMILES: [K]1([OH]C)([OH]C)[N](#C[Ir]23(c4c(c5cccc[n]35)cccc4)(c3c(cccc3)c3cccc[n]23)C#N)[K]([OH]C)([OH]C)[N]1#C[Ir]12(c3c(c4cccc[n]14)cccc3)(c1c(cccc1)c1cccc[n]21)C#N
• Title of publication: Luminescent cyanometallates based on phenylpyridine-Ir(iii) units: solvatochromism, metallochromism, and energy-transfer in Ir/Ln and Ir/Re complexes.
• Authors of publication: Ali, Noorshida Mohd; Macleod, Voirrey L.; Jennison, Petter; Sazanovich, Igor V.; Hunter, Christopher A.; Weinstein, Julia A.; Ward, Michael D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 8
• Pages of publication: 2408 - 2419
• a: 15.3695 ± 0.0005 Å
• b: 9.1499 ± 0.0003 Å
• c: 18.3135 ± 0.0006 Å
• α: 90°
• β: 109.919 ± 0.001°
• γ: 90°
• Cell volume: 2421.34 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0222
• Residual factor for significantly intense reflections: 0.018
• Weighted residual factors for significantly intense reflections: 0.043
• Weighted residual factors for all reflections included in the refinement: 0.0447
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No