Information card for entry 7251915

Structure parameters

• Common name: Ir(tpy)2_Br3_7H2O
• Formula: C30 H36 Br3 Ir N6 O7
• Calculated formula: C30 H36 Br3 Ir N6 O7
• 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: 9.1535 ± 0.0003 Å
• b: 10.7988 ± 0.0002 Å
• c: 18.2428 ± 0.0003 Å
• α: 76.4504 ± 0.0015°
• β: 88.342 ± 0.002°
• γ: 87.051 ± 0.002°
• Cell volume: 1750.47 ± 0.07 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0614
• Residual factor for significantly intense reflections: 0.0552
• Weighted residual factors for significantly intense reflections: 0.1537
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.118
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No