Information card for entry 7016334

Structure parameters

• Formula: C149.5 H174 Cl5 Ir2 N12 Ni2 O4.5
• Calculated formula: C149.5 H174 Cl5 Ir2 N12 Ni2 O4.5
• Title of publication: Peripherally cyclometalated iridium complexes of dipyridylporphyrin.
• Authors of publication: Yoshida, Keita; Nakashima, Takumi; Yamaguchi, Shigeru; Osuka, Atsuhiro; Shinokubo, Hiroshi
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 35
• Pages of publication: 8773 - 8775
• a: 18.4273 ± 0.0018 Å
• b: 21.224 ± 0.002 Å
• c: 22.036 ± 0.002 Å
• α: 73.917 ± 0.002°
• β: 67.416 ± 0.002°
• γ: 64.419 ± 0.002°
• Cell volume: 7113.1 ± 1.2 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 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: 0.0606
• Residual factor for significantly intense reflections: 0.0462
• Weighted residual factors for significantly intense reflections: 0.1298
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No