Information card for entry 7038061

Structure parameters

• Formula: C82 H64 Ag2 Cl4 Ir2 N4 O4
• Calculated formula: C81 H62 Ag2 Cl2 Ir2 N4 O4
• SMILES: [Ag]12([C](#[C]1c1cc(ccc1)OC)[Ir]13([C]4#[C]([Ag]456)c4cc(ccc4)OC)(c4ccccc4c4cccc[n]14)c1ccccc1c1cccc[n]31)[C]([Ir]13([C]5#[C]6c4cc(ccc4)OC)(c4ccccc4c4cccc[n]14)c1ccccc1c1cccc[n]31)#[C]2c1cc(ccc1)OC.ClCCl
• Title of publication: Alkynyl bridged cyclometalated Ir2M2 clusters: impact of the heterometal in the photo- and electro-luminescence properties.
• Authors of publication: Fernández-Cestau, Julio; Giménez, Nora; Lalinde, Elena; Montaño, Patricia; Moreno, M. Teresa; Sánchez, Sergio; Weber, Michael D.; Costa, Rubén D
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 8
• Pages of publication: 3251 - 3255
• a: 15.1965 ± 0.0006 Å
• b: 15.8191 ± 0.0007 Å
• c: 17.1188 ± 0.0004 Å
• α: 68.885 ± 0.002°
• β: 77.294 ± 0.002°
• γ: 71.265 ± 0.001°
• Cell volume: 3610.2 ± 0.2 ų
• Cell temperature: 173 ± 1 K
• Ambient diffraction temperature: 173 ± 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: 0.0684
• Residual factor for significantly intense reflections: 0.0446
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.1134
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No