Information card for entry 7014228

Structure parameters

• Formula: C72 H70 Ir2 N10 O4
• Calculated formula: C72 H70 Ir2 N10 O4
• SMILES: [Ir]123([n]4ccccc4c4ccccc14)([n]1ccccc1c1ccccc21)[n]1ccccc1c1cc2[Ir]45([n]6c(c2cc31)cccc6)([n]1ccccc1c1ccccc41)[n]1ccccc1c1ccccc51.O=CN(C)C.O=CN(C)C.O=CN(C)C.O=CN(C)C
• Title of publication: A novel dinuclear cyclometalated iridium complex bridged with 1,4-bis[pyridine-2-yl]benzene: its structure and photophysical properties.
• Authors of publication: Tsuboyama, Akira; Takiguchi, Takao; Okada, Shinjiro; Osawa, Masahisa; Hoshino, Mikio; Ueno, Kazunori
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 1115 - 1116
• a: 12.0938 ± 0.0002 Å
• b: 21.1951 ± 0.0006 Å
• c: 24.5599 ± 0.0004 Å
• α: 90°
• β: 100.152 ± 0.0008°
• γ: 90°
• Cell volume: 6196.9 ± 0.2 ų
• Cell temperature: 93.2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.1138
• Goodness-of-fit parameter for all reflections included in the refinement: 1.482
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No