Information card for entry 4342863

Structure parameters

• Formula: C48 H33 Ir N6 O6
• Calculated formula: C48 H33 Ir N6 O6
• Title of publication: Photochemical Properties of Red-Emitting Tris(cyclometalated) Iridium(III) Complexes Having Basic and Nitro Groups and Application to pH Sensing and Photoinduced Cell Death.
• Authors of publication: Kando, Aya; Hisamatsu, Yosuke; Ohwada, Hiroki; Itoh, Taiki; Moromizato, Shinsuke; Kohno, Masahiro; Aoki, Shin
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 11
• Pages of publication: 5342 - 5357
• a: 19.902 ± 0.003 Å
• b: 29.796 ± 0.004 Å
• c: 17.541 ± 0.002 Å
• α: 90°
• β: 95.096 ± 0.002°
• γ: 90°
• Cell volume: 10361 ± 2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0744
• Residual factor for significantly intense reflections: 0.0573
• Weighted residual factors for significantly intense reflections: 0.1712
• Weighted residual factors for all reflections included in the refinement: 0.1935
• Goodness-of-fit parameter for all reflections included in the refinement: 1.076
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No