Information card for entry 7251914

Structure parameters

• Common name: Ir(tpy)2_Br3_2H2O
• Formula: C30 H26 Br3 Ir N6 O2
• Calculated formula: C30 H26 Br3 Ir N6 O2
• Title of publication: Structure and Luminescence Colour Change of Iridium(III) Bis-Terpyridine Complex Crystal Triggered by Water Sorption/Desorption
• Authors of publication: Endo, Yusuke; Kondo, Mio; Nakamura, Tomoe; Hattori, Shingo; Sekine, Akiko; Kojo, Sosuke; Shinozaki, Kazuteru
• Journal of publication: CrystEngComm
• Year of publication: 2026
• a: 9.72848 ± 0.00019 Å
• b: 16.4054 ± 0.0003 Å
• c: 18.5653 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2963.01 ± 0.1 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 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: 0.0362
• Residual factor for significantly intense reflections: 0.0257
• Weighted residual factors for significantly intense reflections: 0.0525
• Weighted residual factors for all reflections included in the refinement: 0.0551
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No