Information card for entry 7017682

Structure parameters

• Formula: C130 H109 Eu2 Ir2 N21 O19 P4
• Calculated formula: C130 H107 Eu2 Ir2 N21 O19 P4
• SMILES: [Ir]123(c4c(c5cccc[n]25)cccc4)(c2ccccc2c2cccc[n]32)C#[N][Eu]2345([N]#C[Ir]67(c8c(c9cccc[n]69)cccc8)(c8ccccc8c8cccc[n]78)C#[N][Eu]678([N]#C1)([O]=N([O]36)=O)([O]=N(=O)O7)(ON(=[O]8)=O)[OH2])(ON(=[O]2)=O)(ON(=[O]4)=O)ON(=[O]5)=O.c1(ccccc1)P(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.c1(ccccc1)P(c1ccccc1)(c1ccccc1)=N[P+](c1ccccc1)(c1ccccc1)c1ccccc1.CC#N.CC#N.CC#N.CC#N.CC#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: 12.5286 ± 0.001 Å
• b: 16.3216 ± 0.0013 Å
• c: 31.872 ± 0.003 Å
• α: 86.41 ± 0.004°
• β: 86.247 ± 0.004°
• γ: 73.232 ± 0.004°
• Cell volume: 6220.4 ± 0.9 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0271
• Weighted residual factors for significantly intense reflections: 0.0622
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.079
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No