Information card for entry 1576846

Structure parameters

• Formula: C17 H30 B11 Br6 N3 Ru
• Calculated formula: C17 H30 B11 Br6 N3 Ru
• Title of publication: Near-infrared (NIR)-responsive activation of Ru-benziphthalocyanine complexes <i>via</i> singlet-triplet transition.
• Authors of publication: Takayama, Orie; Toriumi, Naoyuki; Hanaoka, Kenjiro; Uchiyama, Masanobu
• Journal of publication: Chemical science
• Year of publication: 2026
• Journal volume: 17
• Journal issue: 19
• Pages of publication: 9600 - 9608
• a: 13.634 ± 0.0007 Å
• b: 17.5899 ± 0.001 Å
• c: 13.8373 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3318.5 ± 0.3 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0728
• Weighted residual factors for significantly intense reflections: 0.1972
• Weighted residual factors for all reflections included in the refinement: 0.2221
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No