Information card for entry 2214928

Structure parameters

• Chemical name: (N,N'-Diethyldithiocarbamato-κ^2^S,S')bis[2-(2-pyridyl)phenyl- κ^2^C^1^,N]iridium(III)
• Formula: C27 H26 Ir N3 S2
• Calculated formula: C27 H26 Ir N3 S2
• SMILES: c12cccc[n]1[Ir]13([n]4c(cccc4)c4ccccc34)([S]=C(N(CC)CC)S1)c1c2cccc1
• Title of publication: (<i>N</i>,<i>N</i>'-Diethyldithiocarbamato-κ^2^<i>S</i>,<i>S</i>')bis[2-(2-pyridyl)phenyl-κ^2^<i>C</i>^1^,<i>N</i>]iridium(III)
• Authors of publication: Chen, Lian-Qing
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 8
• Pages of publication: m2078 - m2078
• a: 16.401 ± 0.003 Å
• b: 11.436 ± 0.002 Å
• c: 13.54 ± 0.003 Å
• α: 90°
• β: 99 ± 0.03°
• γ: 90°
• Cell volume: 2508.3 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0284
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0705
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes