Information card for entry 7720786

Structure parameters

• Formula: C40 H28 B Br2 Cl3 N2
• Calculated formula: C39 H27 B Br2 N2
• Title of publication: Phosphorescence properties of boron β-diketiminate complexes modulated by spiro structures.
• Authors of publication: Suwa, Keisuke; Ito, Shunichiro; Tanaka, Kazuo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• a: 12.034 ± 0.004 Å
• b: 9.965 ± 0.003 Å
• c: 29.552 ± 0.008 Å
• α: 90°
• β: 94.32 ± 0.005°
• γ: 90°
• Cell volume: 3533.8 ± 1.9 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0584
• Residual factor for significantly intense reflections: 0.0418
• Weighted residual factors for significantly intense reflections: 0.0994
• Weighted residual factors for all reflections included in the refinement: 0.1077
• Goodness-of-fit parameter for all reflections included in the refinement: 0.995
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No