Information card for entry 1576847

Structure parameters

• Formula: C180 H172 B11 Br6 N14 O13 Ru2
• Calculated formula: C180 H172 B11 Br6 N14 O13 Ru2
• Title of publication: Near-infrared (NIR)-responsive activation of Ru-benziphthalocyanine complexes via singlet-triplet transition
• Authors of publication: Takayama, Orie; Toriumi, Naoyuki; Hanaoka, Kenjiro; Uchiyama, Masanobu
• Journal of publication: Chemical Science
• Year of publication: 2026
• a: 14.5575 ± 0.0002 Å
• b: 37.1162 ± 0.0005 Å
• c: 35.7361 ± 0.0005 Å
• α: 90°
• β: 96.697 ± 0.002°
• γ: 90°
• Cell volume: 19177.1 ± 0.5 ų
• Cell temperature: 123.15 K
• Ambient diffraction temperature: 123.15 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.1236
• Weighted residual factors for significantly intense reflections: 0.3336
• Weighted residual factors for all reflections included in the refinement: 0.3833
• Goodness-of-fit parameter for all reflections included in the refinement: 1.227
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No