Information card for entry 7017678

Structure parameters

• Formula: C60 H58 Ir2 La2 N18 O16
• Calculated formula: C60 H58 Ir2 La2 N18 O16
• SMILES: [Ir]123(c4c(c5cccc[n]25)cccc4)(c2c(c4[n]3cccc4)cccc2)C#[N][La]23(ON(=[O]2)=O)(ON(=[O]3)=O)([OH2])([OH2])([N]#CC)[N]#C[Ir]23(c4c(c5cccc[n]25)cccc4)(c2c(c4cccc[n]34)cccc2)C#[N][La]23(ON(=[O]2)=O)(ON(=[O]3)=O)([OH2])([OH2])([N]#CC)[N]#C1.C(#N)C.C(#N)C.C(#N)C.C(#N)C
• 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: 11.1072 ± 0.0004 Å
• b: 12.2186 ± 0.0004 Å
• c: 12.978 ± 0.0004 Å
• α: 100.351 ± 0.002°
• β: 95.361 ± 0.002°
• γ: 90.093 ± 0.002°
• Cell volume: 1724.75 ± 0.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0287
• Residual factor for significantly intense reflections: 0.0217
• Weighted residual factors for significantly intense reflections: 0.0474
• Weighted residual factors for all reflections included in the refinement: 0.0498
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No