Information card for entry 4336041

Structure parameters

• Formula: C51 H40 Cl2 Ir N9 O3
• Calculated formula: C51 H40 Cl2 Ir N9 O3
• SMILES: [Ir]123([n]4c(cccc4)c4[n]1n(cc4)Cc1ccc(Cn4nc(c5ncccc5)cc4)c4c1cccc4)([n]1c(cccc1)c1c2cccc1)[n]1c(cccc1)c1c3cccc1.O=N(=O)[O-].ClCCl
• Title of publication: d\ρightarrowf Energy Transfer in Ir(III)/Eu(III) Dyads: Use of a Naphthyl Spacer as a Spatial and Energetic "Stepping Stone"
• Authors of publication: Daniel Sykes; Simon C. Parker; Igor V. Sazanovich; Andrew Stephenson; Julia A. Weinstein; Michael D. Ward
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 10500 - 10511
• a: 12.3327 ± 0.0004 Å
• b: 12.735 ± 0.0004 Å
• c: 31.5659 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4957.6 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0678
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1303
• Weighted residual factors for all reflections included in the refinement: 0.1361
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No