Information card for entry 7720787

Structure parameters

• Formula: C39 H29 B N2
• Calculated formula: C39 H29 B 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: 9.777 ± 0.003 Å
• b: 13.268 ± 0.004 Å
• c: 22.685 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2942.7 ± 1.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 4
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.078
• Weighted residual factors for all reflections included in the refinement: 0.0814
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No