Information card for entry 7131743

Structure parameters

• Formula: C110 H68 Cl6 Ir2 N8 O4
• Calculated formula: C110 H68 Cl6 Ir2 N8 O4
• Title of publication: Photochromic dinuclear iridium(III) complexes having phenoxyl-imidazolyl radical complex derivatives.
• Authors of publication: Okayasu, Yoshinori; Miyahara, Takuya; Shimada, Rintaro; Nagai, Yuki; Sakamoto, Akira; Abe, Jiro; Kobayashi, Yoichi
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2023
• a: 26.0785 ± 0.0008 Å
• b: 31.5718 ± 0.0008 Å
• c: 22.0025 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 18115.7 ± 0.9 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0249
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0793
• Weighted residual factors for all reflections included in the refinement: 0.0806
• Goodness-of-fit parameter for all reflections included in the refinement: 0.76
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No